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109

抑制剂 & 化合物

67

天然产物

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Cat. No.	Product Name	Target	Signaling Pathways
T9264	ECBN HCL 1-[(4R,5R)-4,5-Dihydroxy-L-ornithine]echinocandin B hydrochloride (1:1)	Others	Others
	ECBN HCL (A-30912A nucleus hydrochloride) 是一种 Echinocandin B 脱酰酶催化反应的产物。
T1808	kb-NB77-78	Serine/threonin kinase	Cell Cycle/Checkpoint; Metabolism
	kb-NB77-78 是一种 CID797718 的类似物，但不影响 PKD。它是母体化合物 CID755673（PKD1 抑制剂）的合成副产物。
T0767	Sulfapyridine 磺胺吡啶,Sulfidine,Sulfidin,2-Sulfapyridine	Antibacterial; Antibiotic; Autophagy	Autophagy; Microbiology/Virology
	Sulfapyridine (2-Sulfapyridine) 是一种磺酰胺类抗生素，是 Sulfasalazine 的代谢产物。它抑制重组 P. carinii 二氢蝶呤合成酶，IC50为 0.18 μM。它具有抗菌，抗炎和抗风湿作用。
T8628	2,4,6-Triiodophenol	Others	Others
	2,4,6-Triiodophenol 用作废水氯化过程中形成的碘化消毒副产物。它也被用作一种有效的甲状腺干扰化学物质和研究脱碘酶。
TP1156	H-Gly-Gly-Pro-OH Glycyl-glycyl-L-proline	Others	Others
	H-Gly-Gly-Pro-OH (Glycyl-glycyl-L-proline) 是由甘氨酸和脯氨酸组成的二肽，是胶原代谢的终产物，被脯氨酸酶进一步裂解。
TP1266	γ-Glu-Phe TFA(7432-24-8 free base) γ-Glu-Phe TFA(7432-24-8,FREE)	Endogenous Metabolite	Metabolism
	γ-Glu-Phe TFA(7432-24-8 free base) 是由γ-谷氨酸和苯丙氨酸组成的二肽，是较大蛋白质的蛋白水解分解产物。它可能是由谷胱甘肽与相应氨基酸之间的转肽作用形成的，由γ-谷氨酰转肽酶催化。
T36879L	H-Leu-Leu-OMe . HBr H-Leu-Leu-OMe . HBr (16689-14-8 Free base)	Others	Others
	H-Leu-Leu-OMe . HBr 是由人单核细胞或多形核白细胞产生的L-亮氨酸甲酯的二肽缩合产物。 H-Leu-Leu-OMe . HBr 诱导内溶酶体途径应激并选择性地消除具有细胞毒性潜力的淋巴细胞。
T0983L	DL-Penicillamine 3-Sulfanylvaline,DL-青霉胺	Antibiotic	Microbiology/Virology
	DL-Penicillamine (3-Sulfanylvaline) 是一种螯合剂，推荐用于去除威尔逊病患者体内多余的铜。它仅存在于使用或服用该药物的个体中。它是青霉素类抗生素最具特征的降解产物。它被用作抗风湿药和威尔逊病的螯合剂。
T20548	Parabanic acid NSC9789,NSC-9789,NSC 9789
	Parabanic acid is the oxidation product of uric acid by singlet oxygen.
T40683	Diiodoacetic acid
	Diiodoacetic acid is a disinfection by-product (DBP) formed during water disinfection.
T24190	Jadomycin B
	A jadomycin is an anacyclic natural product produced by Streptomyces venezuelae ISP5230.
T40681	2,2-Dibromoacetamide
	2,2-Dibromoacetamide is a class of disinfection by-product (DBP) in drinking water.
T32677	Leucylproline Leu-pro
	Leucylproline is a peptide that proteolytic breakdown product by larger proteins.
T38177	Flambalactone
	Flambalactone is a degradation product formed by methanolysis of the antibiotic flambamycin.
T32600	Lauroylmethionine N-Lauroyl-L-methionine,Lauroyl-L-methionine
	Lauroylmethionine is a lysine salt of the product formed by the condensation of lauroyl fatty acid chloride with methionine.
T40669	Diiodoacetamide
	Diiodoacetamide, an iodo-haloacetamide compound, emerges as a disinfection by-product (DBP) within drinking water.
T19785	Isocyclosporin A IsocyclosporinA,Isocyclosporin-A
	Isocyclosporin A is a rearranged degradation product. It is formed by acid treatment of cyclosporin A under aqueous and non-aqueous conditions.
T41063	Bromodichloronitromethane
	Bromodichloronitromethane is a Halonitromethane compound, classified as a disinfection by-product (DBP) present in drinking water.
T35788	Orlistat Degradation Product (sodium salt)
	Orlistat degradation product is a degradation product of the digestive lipase inhibitor orlistat . It is formed via hydrolytic and thermal degradation as well as digestion by human carboxyl ester lipase.
T26262	Tetrahydropteroylpentaglutamate Tetrahydropteroyl pentaglutamate,THPPG
	Tetrahydropteroylpentaglutamate shows potent product inhibition by H4PteGlu5. In vivo, this enzyme may bind great amounts of this coenzyme in a nearly irreversible enzyme.
T37228	(±)8(9)-EpETE
	Eicosapentaenoic acid is converted to epoxyeicosatetraenoic acids (EpETEs) by several cytochrome P450 isoforms. The major product of this epoxygenase pathway, (±)17(18)-EpETE , relaxes vascular and airway smooth muscle by activating large conductance Ca2+-activated K+ (BKCa) channels by directly interacting with BKα channel subunits. (±)8(9)-EpETE is an epoxygenase pathway product produced from EPA by CYP450 both in vitro and in vivo. The biological actions and physiological effects of this epox...
T34678	Sodium phenylacetyl glutamine Antineoplaston AS 2-5
	Sodium phenylacetyl glutamine is a product formed by the conjugation of phenylacetate and glutamine. It is a common metabolite that is naturally occurring in human urine.
T83028	Antioxidant agent-16
	Antioxidant agent-16（Product 2）展现出显著的抗氧化活性，其半抑制浓度（IC50）为6.93 ppm。
T36751	Dihydroxy Melphalan
	Dihydroxy melphalan is an inactive degradation product of melphalan . It is formed by the hydrolysis of melphalan via the intermediate monohydroxy melphalan in aqueous solutions, including cell culture medium and human plasma.
T19557	Sanshool	Others	Others
	Sanshool is a natural product isolated from Zanthoxylum bungeanum. Sanshool improves UVB-induced skin photodamage by targeting JAK2/STAT3-dependent autophagy.
T39273	Lumasiran ALN-G01
	Lumasiran (ALN-G01), a siRNA product, inhibits hepatic oxalate production by targeting glycolate oxidase. By silencing the gene encoding glycolate oxidase, Lumasiran depletes this enzyme and thereby prevents the synthesis of oxalate, the toxic metabolite directly linked to the clinical manifestations of Primary hyperoxaluria type 1 (PH1).
T40933	Bromochloroacetonitrile
	Bromochloroacetonitrile is a chemical compound that is formed as a by-product during the chlorine disinfection process of water that contains natural organic material. This compound exhibits direct mutagenic activity and can induce DNA strand breakage.
T36304	Fluorescein-NAD+
	Fluoroscein NAD+ is a substrate for ADP-ribosylation, providing a convenient non-isotopic alternative to radiolabelled NAD for use in PARP assays. Allows direct measurement of NAD-dependent enzymes, such as PARP, by fluorescence microscopy. This product is a replacement for R&D Systems product 4673-500-01 81 μg is supplied as 250 μl of a 0.25 mM solution in water.
T68873	Cornigerine
	Cornigerine is a natural product analog of colchicine produced by Colchicum cornigerum that inhibited tubulin polymerization both with and without microtubule-associated proteins, inhibited the binding of radiolabeled colchicine to tubulin, and stimulated tubulin-dependent GTP hydrolysis.
T37704	Olanzapine Lactam Impurity
	Olanzapine lactam impurity is a potential impurity found in commercial preparations of olanzapine.1It is a degradation product formed by exposure to thermal or oxidative stress. 1.Baertschi, S.W., Brunner, H., Bunnell, C.A., et al.Isolation, identification, and synthesis of two oxidative degradation products of olanzapine (LY170053) in solid oral formulationsJ. Pharm. Sci.97(2)883-892(2008)
T37658	MitoP
	MitoP is a phenol product produced by the reaction of H2O2 with the ratiometric mass spectrometry probe MitoB . MitoB contains a triphenylphosphonium cation component that drives its accumulation in mitochondria where its arylboronic moiety selectively reacts with H2O2 to produce MitoP. Quantifying the MitoP/MitoB ratio by LC-MS/MS reflects the mitochondrial matrix H2O2 concentration.
T35831	Deoxy Donepezil (hydrochloride)
	Deoxy donepezil is a potential impurity found in bulk preparations of the acetylcholinesterase inhibitor donepezil .1It is produced as a by-product during donepezil synthesis.2 1.Krishna Reddy, K.V.S.R., Moses Babu, J., Anil Kumar, P., et al.Identification and characterization of potential impurities of donepezilJ. Pharm. Biomed. Anal.35(5)1047-1058(2004) 2.Krizmanic, I., Lerman, L., Samardzic, Z., et al.Impurities of donepezil(2009)
T39503	Hepatitis Virus C NS3 Protease Inhibitor 2
	Hepatitis Virus C NS3 Protease Inhibitor 2 is a peptide inhibitor derived from a product that targets the NS3 protease of the hepatitis C virus (HCV). Its inhibitory activity against the NS3 protease is characterized by a Ki value of 41 nM.
T20946	Bismuth oxide Bismuth sesquioxide,Bismuth trioxide,Bismutum-oxydatum,Bismuthous oxide
	Bismuth(III) oxide is a common starting point for bismuth chemistry. It is usually obtained as a by-product of the smelting of copper and lead ores. Bismuth trioxide is commonly used as a replacement of red lead to produce the “Dragon's eggs” effect in fi
T36602	(±)4-HDHA
	(±)4-HDHA is an autoxidation product of docosahexaenoic acid (DHA) in vitro. It is also produced from incubations of DHA in rat liver, brain, and intestinal microsomes. Enzymatic transformation of DHA by RBL-1 cells also produces 4-HDHA. However, the enzymatic product is most likely the S-isomer. (±)4-HDHA is a potential marker of oxidative stress in brain and retina where DHA is an abundant polyunsaturated fatty acid.
T36030	Desethylene Ciprofloxacin (hydrochloride)
	Desethylene ciprofloxacin is a major metabolite of ciprofloxacin . It is also a degradation product of ciprofloxacin that can be created through advanced oxygenation processes as a potential way to remove ciprofloxacin from wastewater. It is also created during degradation of ciprofloxacin by chlorination.
T36606	(±)7-HDHA
	(±)7-HDHA is an autoxidation product of docosahexaenoic acid (DHA) in vitro. It is also produced from incubations of DHA in rat liver, brain, and intestinal microsomes. Enzymatic transformation of DHA by RBL-1 cells and human neutrophils also produces 7-HDHA. However, the enzymatic product is most likely the S-isomer. (±)7-HDHA is a potential marker of oxidative stress in brain and retina where DHA is an abundant polyunsaturated fatty acid.
T70323	Diethanolamine Fusidate
	Diethanolamine Fusidate is a bacteriostatic antibiotic with similar activity and better absorption after oral administration (in animals) than the sodium salt of Fusidic Acid. This product inhibits protein synthesis in prokaryotes by inhibiting the ribosome-dependent activity of G factor and translocation of peptidyl-tRNA.
T35997	22-HDHA
	22-HDHA is an oxidation product of docosahexaenoic acid . In vitro, it is formed upon incubation of rat liver microsomes with DHA and NADPH and also by the human cytochrome P450 (CYP) isoform CYP4F3B in BTI-TN-5B1-4 microsomes. Serum levels of 22-HDHA increase following dietary DHA supplementation in humans.
TP1864	[Glu1]-Fibrinopeptide B [Glu1]-纤维蛋白肽B
	[Glu1]-Fibrinopeptide B, a derivative of fibrinopeptide B amino acid residues 1-14, originates from human fibrinopeptide B (hFpB). hFpB is a proteolytic cleavage product of the fibrinogen B beta-chain, specifically generated by thrombin, which plays a significant role in activating neutrophils (PMN), monocytes, and fibroblasts.
T36697	8-Nitroguanine
	8-Nitroguanine 是由活性氮物引起的 DNA 硝化损伤的产物，可能是恶性纤维组织细胞瘤进展的潜在生物标志物。
T36209	15-keto Prostaglandin A1 15-keto Prostaglandin A1
	Prostaglandin A1 (PGA1) was first isolated as a dehydration product of the PGE1 compounds found in human semen. 15-keto PGA1 is a metabolite of PGA1, produced by 15-hydroxy PG dehydrogenase. It can be produced from PGA1 in pig lung, trachea, aorta, and pulmonary artery tissue preparations. 15-keto PGA1, given at a concentration of 6 μM, causes vasoconstriction of rabbit lung that is comparable to that induced by angiotensin II.
T37890	GLP-1(28-36)amide
	GLP-1(28-36)amide, a C-terminal nonapeptide derived from the cleavage of GLP-1 by neutral endopeptidase (NEP), is a significant product. It functions as an antioxidant and primarily targets the mitochondrion, where it effectively inhibits mitochondrial permeability transition (MPT). This compound exhibits anti-diabetic properties and demonstrates cardioprotection effects[1].
T36045	1a,1b-dihomo Prostaglandin E2 1a,1b-dihomo Prostaglandin E2
	1a,1b-dihomo Prostaglandin E2 (PGE2) is a rare polyunsaturated fatty acid first identified in extracts of sheep vesicular gland microsomes, known to contain COX, incubated with adrenic acid . 1a,1b-dihomo PGE2 has also been identified in conditioned media of RAW 264.7 macrophages stimulated with endotoxin and arachidonic acid . This product is thought to be produced by elongation of AA to adrenic acid, which is then metabolized sequentially by COX and PGE synthase.
T36708	Monohydroxy Melphalan (hydrochloride)
	Monohydroxy melphalan is a DNA alkylating agent and a degradation product of melphalan . Monohydroxy melphalan is formed by the hydrolysis of melphalan in aqueous solutions, including cell culture medium and human plasma. It increases the level of DNA adducts in ML-1 myeloblastic leukemia cells in a concentration-dependent manner and induces cytotoxicity with an IC50 value of 28.1 μg/ml.
T37839	20-hydroxy Prostaglandin E2 20-hydroxy Prostaglandin E2
	20-hydroxy Prostaglandin E2 (20-hydroxy PGE2) is a product of cytochrome P450 metabolism of PGE2 . ω-Oxidation at C-20 followed by β-oxidation and the loss of up to four carbons from the lower side chain is a prominent metabolic pathway for PGE2. 20-hydroxy PGE2 is the putative first intermediate in this chain of chemical transformations.
T80463	Dynorphin B (1-9)	Opioid Receptor	Endocrinology/Hormones; GPCR/G Protein; Neuroscience
	Dynorphin B (1-9)为Dynorphin B的N-端裂解产物，属于神经肽类。其形成受到半胱氨酸肽酶非选择性抑制剂N-ethylmaleimide的阻断。
T38277	8-methyl Nonanoic Acid 8-methyl Nonanoic Acid,Isocapric Acid
	Capsaicin, the chemical that imparts the spicy-hot quality of chili peppers, is produced by the fruits of plants belonging to the Capsicum family. 8-methyl Nonanoic acid is an immediate precursor of capsaicin as well as a by-product of capsaicin degradation.[1] Addition of 5 mM of 8-methyl nonanoic acid significantly increases the yield of capsaicin in both immobilized and freely suspended cells of C. frutescens. [2] Capsaicin has reported antimicrobial properties, however isocapric acid can ac...
T35434	β-Cembrenediol
	β-Cembrenediol (β-CBT) is a natural product from tobacco plants that is found in cigarette smoke condensate. β-CBT inhibits induction of the early antigen of Epstein-Barr virus (EA-EBV) by 12-O-tetradecanoylphorbol-13-acetate (TPA) in vitro (IC50 = 21.9 μM). It inhibits tumor promoting effects of TPA on 7,12-demethylbenz[a]anthracene-induced papilloma formation in vivo. β-CBT is also released into soil by flue-cured tobacco plants and exerts autotoxicity as well as phytotoxic activity against L....
T35880	Renin Fluorogenic Substrate
	The renin fluorogenic substrate consists of the normal peptide substrate for renin which has been linked to the fluorophore EDANS at one end and to a non-fluorescent quenching molecule (Dabcyl) at the other. After cleavage by renin, the product (peptide-EDANS) is brightly fluorescent and can be easily analyzed using an excitation wavelength of 340 nm and emission wavelengths of 485-510 nm.

化合物

Cat.No: T9264

Synonym: 1-[(4R,5R)-4,5-Dihydroxy-L-ornithine]echinocandin B hydrochloride (1:1)

Target: Others

Cat.No: T1808

Target: Serine/threonin kinase

Cat.No: T0767

Synonym: 磺胺吡啶,Sulfidine,Sulfidin,2-Sulfapyridine

Target: Antibacterial, Antibiotic, Autophagy

2,4,6-Triiodophenol

Cat.No: T8628

Target: Others

H-Gly-Gly-Pro-OH

Cat.No: TP1156

Synonym: Glycyl-glycyl-L-proline

Target: Others

γ-Glu-Phe TFA(7432-24-8 free base)

Cat.No: TP1266

Synonym: γ-Glu-Phe TFA(7432-24-8,FREE)

Target: Endogenous Metabolite

H-Leu-Leu-OMe . HBr

Cat.No: T36879L

Synonym: H-Leu-Leu-OMe . HBr (16689-14-8 Free base)

Target: Others

DL-Penicillamine

Cat.No: T0983L

Synonym: 3-Sulfanylvaline,DL-青霉胺

Target: Antibiotic

Cat.No: T20548

Synonym: NSC9789,NSC-9789,NSC 9789

Diiodoacetic acid

Cat.No: T40683

Cat.No: T24190

2,2-Dibromoacetamide

Cat.No: T40681

Cat.No: T32677

Synonym: Leu-pro

Cat.No: T38177

Lauroylmethionine

Cat.No: T32600

Synonym: N-Lauroyl-L-methionine,Lauroyl-L-methionine

Diiodoacetamide

Cat.No: T40669

Isocyclosporin A

Cat.No: T19785

Synonym: IsocyclosporinA,Isocyclosporin-A

Bromodichloronitromethane

Cat.No: T41063

Orlistat Degradation Product (sodium salt)

Cat.No: T35788

Tetrahydropteroylpentaglutamate

Cat.No: T26262

Synonym: Tetrahydropteroyl pentaglutamate,THPPG

Cat.No: T37228

Sodium phenylacetyl glutamine

Cat.No: T34678

Synonym: Antineoplaston AS 2-5

Antioxidant agent-16

Cat.No: T83028

Dihydroxy Melphalan

Cat.No: T36751

Cat.No: T19557

Target: Others

Cat.No: T39273

Synonym: ALN-G01

Bromochloroacetonitrile

Cat.No: T40933

Fluorescein-NAD+

Cat.No: T36304

Cat.No: T68873

Olanzapine Lactam Impurity

Cat.No: T37704

Cat.No: T37658

Deoxy Donepezil (hydrochloride)

Cat.No: T35831

Hepatitis Virus C NS3 Protease Inhibitor 2

Cat.No: T39503

Cat.No: T20946

Synonym: Bismuth sesquioxide,Bismuth trioxide,Bismutum-oxydatum,Bismuthous oxide

Cat.No: T36602

Desethylene Ciprofloxacin (hydrochloride)

Cat.No: T36030

Cat.No: T36606

Diethanolamine Fusidate

Cat.No: T70323

Cat.No: T35997

[Glu1]-Fibrinopeptide B

Cat.No: TP1864

Synonym: [Glu1]-纤维蛋白肽B

Cat.No: T36697

15-keto Prostaglandin A1

Cat.No: T36209

Synonym: 15-keto Prostaglandin A1

GLP-1(28-36)amide

Cat.No: T37890

1a,1b-dihomo Prostaglandin E2

Cat.No: T36045

Synonym: 1a,1b-dihomo Prostaglandin E2

Monohydroxy Melphalan (hydrochloride)

Cat.No: T36708

20-hydroxy Prostaglandin E2

Cat.No: T37839

Synonym: 20-hydroxy Prostaglandin E2

Dynorphin B (1-9)

Cat.No: T80463

Target: Opioid Receptor

8-methyl Nonanoic Acid

Cat.No: T38277

Synonym: 8-methyl Nonanoic Acid,Isocapric Acid

β-Cembrenediol

Cat.No: T35434

Renin Fluorogenic Substrate

Cat.No: T35880

Cat. No.	Product Name	Target	Signaling Pathways
T8091	trans-4-Hydroxycyclohexanecarboxylic Acid	Others	Others
	trans-4-Hydroxycyclohexanecarboxylic acid 是一种合成环己烷酸的底物 (substrate)。它是肠道细菌代谢的副产物 (by-product)，能够通过尿路排泄。
T40585	1,3-Propanediol	Others	Others
	1,3-Propanediol 是微生物经甘油发酵产生的化合物。
T5255	5-Hydroxymethyluracil 5-(Hydroxymethyl)uracil,5-羟甲基脲嘧啶,Hydroxymethyl Uracil,a-Hydroxythymine	Others; Endogenous Metabolite	Metabolism; Others
	5-Hydroxymethyluracil (a-Hydroxythymine) 是一种氧化性 DNA 损伤的产物，能够增强或抑制细菌 RNA 聚合酶转录的潜在表观遗传标记。
T4738	Sodium 2-hydroxybutanoate 2-Hydroxybutyric acid sodium salt,2-羟基丁酸钠,DL-2-Hydroxybutyric Acid Sodium Salt,alpha-hydroxybutyrate,SODIUM 2-HYDROXYBUTYRATE	Others; Endogenous Metabolite	Metabolism; Others
	Sodium 2-hydroxybutanoate (alpha-hydroxybutyrate) 是内源性代谢产物的一种。
T19115	3,4-Dimethylbenzoic acid 1-Carboxy-3,4-dimethylbenzene,3,4-二甲基苯甲酸	Others	Others
	3,4-Dimethylbenzoic acid (1-Carboxy-3,4-dimethylbenzene) 是 Rhodococcus rhodochrous N75 代谢苯甲酸二甲酯的产物。
T0800	Danthron Dantron,1,8-Dihydroxyanthraquinone,1,8-二羟基蒽醌,丹蒽醌,Chrysazin,Antrapurol	Virus Protease; Antibacterial; AMPK; Autophagy	Autophagy; Chromatin/Epigenetic; Microbiology/Virology; PI3K/Akt/mTOR signaling
	Danthron (Antrapurol) 是一种从中药 rhubarb 中提取的天然产物，可通过激活 AMPK 来调节葡萄糖和脂质代谢。
T20326	1,2-Dimethoxybenzene Veratrole,AI302281,AI3 02281,AI3-02281	Others	Others
	1,2-Dimethoxybenzene (Veratrole) 是由Silene latifolia 分泌天然产物，是对夜行性蛾Hadena bicruris 有效传粉的引诱剂。
T0496	Creatinine 肌酸酐,NSC13123	Endogenous Metabolite	Metabolism
	Creatinine (NSC-13123) 由肌肉中磷酸肌酸分解产生。
TN1684	Ginsenoside F5 人参皂苷 F5,人参皂苷F5	Apoptosis	Apoptosis
	Ginsenoside F5 是从人参中提取的一种天然产物，通过凋亡途径显着抑制 HL-60 细胞的生长。
TWA2417	Sodium taurocholate 牛黄胆酸钠(牛胆酸钠，牛胆酸钠盐，牛磺膽酸鈉，牛磺胆酸钠，牛磺胆酸钠盐，牛胆酸钠水合物，水合牛磺胆酸钠，牛胆酸钠(混合物)，牛黄胆酸钠(水合)，牛磺胆酸钠(标准品)),Taurocholate Sodium	Others	Others
	Sodium taurocholate (Taurocholate Sodium) hydrate 具有显著的生物学效应，例如通过上调 VEGF-A 的表达抑制肝动脉结扎所致的胆道损伤。对免疫系统具有一定的调节作用。
T0983	Penicillamine 青霉胺,d-penicillamin,Dimethyl Cysteine,D-青霉胺,Artamine,D-(-)-Penicillamine	Antibiotic	Microbiology/Virology
	Penicillamine (Artamine) 是一种 penicillin 的代谢降解产物，是一种螯合剂，可作用于威尔逊氏病。
T2945	Germacrone	P450; Antiviral; Influenza Virus	Immunology/Inflammation; Metabolism; Microbiology/Virology
	Germacrone 提取自姜黄，具有抗炎、抗雄激素和抗病毒活性。它还通过促进细胞凋亡来抑制胶质瘤细胞的增殖。
TN1081	Hirsuteine	Dopamine Receptor	GPCR/G Protein; Neuroscience
	Hirsuteine 是提取自钩藤属植物中的吲哚生物碱。它可阻断离子渗透通过烟碱受体通道复合物，非竞争性地拮抗烟碱介导的多巴胺释放。
T5809	Stachyose hydrate Stachyose,水苏糖	Others	Others
	Stachyose hydrate 是一种能够增强有益细菌的生长和活性的益生元。它具有降血糖作用，能够调节肠道微生物而改善炎症。
T8181	Poricoic acid A Poricoic acid A(F),茯苓新酸 A	Others	Others
	Poricoic acid A (Poricoic acid A(F)) 是提取于 Poria cocos 中，拥有抗肿瘤作用。它通过调节Gas6/AxlNFκB/Nrf2 轴提高AKI-to-CKD 的褪黑激素抑制。
T4890	3-Nitro-L-tyrosine 3-Nitrotyrosine,3-硝基-L-酪氨酸	Endogenous Metabolite	Metabolism
	3-Nitro-L-tyrosine (3-Nitrotyrosine) 在系统自免疫原性条件下，能够作无氮自由基修饰蛋白的生物标记物。
T11680	Isoasatone A	P450	Metabolism
	Isoasatone A 是一种具有抗虫作用的天然产物，分离自Heterotropa takaoiM。它作用于细胞色素 P450 单加氧酶和谷胱甘肽转移酶，产生抗S. litura 作用。
T3S2390	Caftaric acid trans-Caftaric acid,单咖啡酰洒石酸	Others	Others
	Caftaric acid (trans-Caftaric acid) 是一种具有抗氧化和抗炎作用的天然产物，具有抗致突变性，也是Src 家族激酶介导的蛋白质-蛋白质相互作用的抑制剂。
TN1025	3,29-O-Dibenzoyloxykarounidiol	Others	Others
	3,29-O-Dibenzoyloxykarounidiol 是一种苯甲酸三萜烯酯，从 Momordica grosvenori 果实中提取。它能够抑制肿瘤启动子 TPA 诱导的 EB 病毒早期抗原活化。
T0968	Paclitaxel Taxol,紫杉醇,NSC 125973	Apoptosis; Microtubule Associated; Autophagy	Apoptosis; Autophagy; Cytoskeletal Signaling
	Paclitaxel (Taxol) 属于天然产物，是一种微管聚合物稳定剂。Paclitaxel 具有抗肿瘤活性；通过诱导有丝分裂停滞、细胞凋亡、细胞自噬等，导致细胞死亡。
T4951	kauran-16,17-diol	Apoptosis; Others	Apoptosis; Others
	Kauran-16,17-diol 是一个天然的二萜天然产物，抑制 LPS 诱导的RAW 264.7 细胞产生 NO 的IC50值为17 μM，具有抗肿瘤诱导凋亡的活性。
TN2121	3,5,7,3′,4′-Pentamethoxyflavone 栎精-3,5,7,3',4'-五甲醚,槲皮素3,5,7,3',4'-五甲基醚,Quercetin 3,5,7,3,4-pentamethyl ether	Others	Others
	3,5,7,3′,4′-Pentamethoxyflavone (Quercetin 3,5,7,3,4-pentamethyl ether) 是一种分离自小花山奈中的多甲氧基黄酮。在分化早期，它可以调控转录因子，促进 3T3-L1 前脂肪细胞形成脂肪。
TN6733	Kansuiphorin C KPC,甘遂大戟萜酯C	Others	Others
	Kansuiphorin C (KPC) 是一种具有多种生物活性的天然产物。它能够调节肠道菌群及相关代谢功能，并可以改善恶性腹水。
T2S1120	Ganoderenic acid B	P-gp	Membrane transporter/Ion channel; Neuroscience
	Ganoderenic acid B 是一种从Ganoderma lucidum 中提取的天然产物，可以通过抑制ABCB1的转运功能，增强化疗药物对ABCB1介导的耐多药癌细胞的细胞毒性来发挥作用。
T37705	1,2,4-Trihydroxybenzene Benzene-1,2,4-triol	Calcium Channel	Membrane transporter/Ion channel; Metabolism
	1,2,4-Trihydroxybenzene (Benzene-1,2,4-triol) 是咖啡豆烘焙的副产品，是在小鼠、阿拉伯咖啡中发现的。1,2,4-Trihydroxybenzene 是一种苯三醇，它能增加大鼠胸腺淋巴细胞内的Ca2+浓度。
TN6953	Lignoceric Acid 二十四烷酸,tetracosanoic acid	Endogenous Metabolite	Metabolism
	Lignoceric Acid (tetracosanoic acid) 是一种 24 碳饱和 (24:0) 脂肪酸，在发育中的大脑中合成，也是一种木质素生产的副产品。它能够用于研究 Zellweger 脑-肝-肾综合征和肾上腺脑白质营养不良。
T3864	Erianin	BCL; Antibacterial	Apoptosis; Microbiology/Virology
	Erianin 能抑制吲哚胺-2,3-双加氧酶诱导的肿瘤血管生成，可用作退烧药和止疼剂。
T5592	Acetosyringone 乙酰丁香酮,Acetosyringenin	Others	Others
	Acetosyringone (Acetosyringenin) 是一种从受伤的植物细胞中产生的酚类化合物。virA 基因能够编码膜结合蛋白，感知 Acetosyringone，使自身磷酸化并激活 vir 基因产物，后者刺激自身及其他 vir 基因的转录。它可提高 Agrobacterium 介导的杜氏盐藻的高效转化。
T0320	Colchicine 秋水仙碱,秋水仙素,Colcin,Colchineos,Colchisol	Apoptosis; Microtubule Associated; Autophagy	Apoptosis; Autophagy; Cytoskeletal Signaling
	Colchicine (Colcin) 属于天然产物，是一种微管聚合的抑制剂 (IC50=3 nM)，通过与微管蛋白结合来阻断微管的聚合。Colchicine 可以被用于治疗通风和风湿病。
TN6891	1-Hexanol hexan-1-ol,正己醇	Others	Others
	1-Hexanol (hexan-1-ol) 是一种伯醇，是一种表面活性剂，通过非质子机制解偶联线粒体呼吸，可用于增强工业过程中的界面性能。
T4920	2-Ketoglutaric acid Sodium Oxoglutaric acid,AKG,2-oxoglutarate monobasic,LPHA-酮戊二酸钠,α-Ketoglutaric acid sodium salt	Tyrosinase; Endogenous Metabolite	Metabolism; Proteases/Proteasome
	2-Ketoglutaric acid Sodium (AKG) 是一种三羧酸循环的中间产物，它可以由谷氨酸通过谷氨酸脱氢酶氧化脱氨产生，也可以作为磷酸吡哆醛依赖的转氨化反应的产物(由支链氨基酸转氨酶介导)，其中谷氨酸是常见的氨基供体。
T8072	S-Methyl-L-cysteine S-甲基-L-半胱氨酸,S-Methylcysteine	Antioxidant; Reactive Oxygen Species	Immunology/Inflammation; Metabolism; NF-κB; oxidation-reduction
	S-Methyl-L-cysteine (S-Methylcysteine) 是一种催化抗氧化系统中甲硫氨酸硫氧化物还原酶 A 的作用底物，是一种天然产物，具有抗氧化、神经保护及减肥的功效。
TMA2270	Alisol F 24-acetate	P-gp	Membrane transporter/Ion channel; Neuroscience
	Alisol F 24-acetate 是一种从 Alisma plantago-aquatica Linn [1] 中分离出来的天然产物。 Alisol F 24 Acetate 通过抑制 P-糖蛋白介导的药物流出来增强 MCF-7/DOX 细胞的化学敏感性和凋亡。
T19124	3-Oxocholic acid 3-Ketocholic acid	Endogenous Metabolite	Metabolism
	3-Oxocholic acid(3-Ketocholic acid) 是胆汁酸的代谢产物，也是产气荚膜梭菌在肠道中由胆汁降解的主要产物。33-Oxocholic acid 是一种主要存在于哺乳动物的胆汁中类固醇酸。
T4845	L-Lactic acid 2-HYDROXYPROPIONIC ACID,L-乳酸,L-(+)-Lactic acid,(S)-2-Hydroxypropanoic acid	Endogenous Metabolite; Antibacterial; Antibiotic	Metabolism; Microbiology/Virology
	L-Lactic acid ((S)-2-Hydroxypropanoic acid) 属于天然产物，由丙酮酸的无氧糖酵解产生。L-Lactic acid 是组织缺氧的敏感指标，可作为危重病人的血流动力学指标。
T5275	2,5-Furandicarboxylic acid Dehydromucic Acid,2,5-Dicarboxyfuran,2,5-呋喃二甲酸	Others; Endogenous Metabolite	Metabolism; Others
	2,5-Furandicarboxylic acid (Dehydromucic Acid) 是重要的能够再生生物技术基础，能够在人类尿液中检测到，在聚酯生产中能够作为对苯二甲酸的环保替代品。
T4716	Pyrrole-2-carboxylic acid 吡咯-2-羧酸,2-Pyrrolecarboxylic acid,Minaline	Endogenous Metabolite	Metabolism
	Pyrrole-2-carboxylic acid (Minaline) 是一种天然生物碱类，从海洋细菌Pelomonas puraquaesp. Nov 中分离得到。
T20793	Magnesium Lithospermate B 丹參酸B鎂,Monomethyl lithospermate B,丹参酸 B 镁,Lithospermate B	Others	Others
	Magnesium Lithospermate B 是一种咖啡酸四聚体的衍生物，从Salviae miltiorrhizae 中提取得到。它能够抑制神经炎症并减轻神经变性。它被广泛用于心血管疾病的研究，并且可以防止葡萄糖引起的细胞内氧化损伤。
TQ0302	Thapsigargin 毒胡萝卜素	Apoptosis; SARS-CoV; Calcium Channel	Apoptosis; Membrane transporter/Ion channel; Metabolism; Microbiology/Virology
	Thapsigargin 属于天然产物，是一种肌/内质网 Ca2+ ATP 酶 (SERCA) 的抑制剂，也是一种内质网应激诱导剂。Thapsigargin 通过阻断细胞将钙泵入肌浆和内质网的能力来提高胞浆钙浓度。
T4744	5-HYDROXYINDOLE-3-ACETIC ACID 5-羟基吲哚-3-乙酸,5-HIAA	Others; Endogenous Metabolite	Metabolism; Others
	5-Hydroxyindole-3-acetic acid (5-HIAA) 是甲氧基肾上腺素或5-羟色胺的主要代谢产物，被用作神经内分泌肿瘤的生物标志物。它是血清素的分解产物，能够从尿液中排出。
TN1601	Effusol 灯心草菲酚,厄弗酚	Caspase	Apoptosis; Proteases/Proteasome
	Effusol 是一种从 Juncus effuses 中分离到的酚类物质，对 DPPH 自由基(IC50:79 μM) 及 ABTS 自由基(IC50:2.73 μM)具有较强的清除活性。它能挽救皮质酮减弱的 CA1 LTP，保护海马功能对抗应激诱导的认知能力下降。
T4887	3-Amino-2-methylpropanoic acid DL-3-AMINOISOBUTYRIC ACID,3-氨基异丁酸,α-Methyl-β-alanine	Endogenous Metabolite	Metabolism
	3-Amino-2-methylpropanoic acid (α-Methyl-β-alanine) 是 N-carbamyl-beta-aminoisobutyric acid 经 enzyme Beta-ureidopropionase (EC 3.5.1.6)转化后的产物，是嘧啶降解的最后一步。-尿嘧啶丙酸酶缺乏症是一种与神经异常相关的嘧啶降解的先天性错误。
T5236	N-Methylhydantoin 甲酰乙内脲,Dioxy-creatinine,1-Methyl-hydantoin	Others; Endogenous Metabolite	Metabolism; Others
	N-Methylhydantoin (1-Methyl-hydantoin) 是一种小分子量极性物质，是细菌降解肌酐的产物。在哺乳动物中，N-Methylhydantoin 的代谢是通过 5-hydroxy-1-methylhydantoin 进行的。在一个报告的人类病例中，N-Methylhydantoin 被发现是影响智力的物质dupracetam的代谢物。
T2S0837	Astragalus Polysacharin 2-(Chloromethyl)-4-(4-nitrophenyl)thiazole,黄芪多糖,89250-26-0	TAM Receptor	Tyrosine Kinase/Adaptors
	2-(Chloromethyl)-4-(4-nitrophenyl)thiazole 是一种从黄芪 (Astragalus propinquus) 中提取得到的天然产物。2-(Chloromethyl)-4-(4-nitrophenyl)thiazole 具有抗癌活性，通过抑制肿瘤相关巨噬细胞 (TAM) 的 M2 极化在肝细胞癌 (HCC) 中显示除抗肿瘤活性。
TN1206	2,4,6-Trihydroxybenzaldehyde	Others	Others
	2,4,6-Trihydroxybenzaldehyde 是一种天然产物。 2,4,6-三羟基苯甲醛是一种潜在的抗肥胖治疗药物，可抑制 C57BL/6 小鼠的 3T3-L1 细胞中的脂肪细胞分化和高脂饮食诱导的脂肪积累。它也是一种有效的抗糖尿病药物。 2,4,6-三羟基苯甲醛具有潜在的抗癌活性。
T3904	Gomisin J	Calcium Channel; AMPK	Chromatin/Epigenetic; Membrane transporter/Ion channel; Metabolism; PI3K/Akt/mTOR signaling
	Gomisin J 是在五味子中发现的小分子量木脂素，具有血管舒张活性，在非酒精性脂肪性肝病方面有研究潜力。它通过激活 AMPK、LKB1 和 Ca2+/钙调蛋白依赖性蛋白激酶 II 以及抑制 HepG2 细胞中的胎球蛋白 A 来调节脂肪生成酶和脂肪分解酶以及炎症分子的表达，从而抑制脂质积累。
T5089	5-Aminovaleric acid	Others; Endogenous Metabolite	Metabolism; Others
	5-Aminovaleric acid 被认为是 GABA 的亚甲基同系物，是GABA 的弱激动剂。它是赖氨酸降解产物。它既能够内源性产生，也能够通过赖氨酸的细菌分解代谢产生。
T4799	Indole	Others; Endogenous Metabolite	Metabolism; Others
	Indole 它具有双环结构，由一个六元苯环和一个五元含氮吡咯环融合而成。它可以由细菌作为氨基酸色氨酸的降解产物产生。它自然存在于人类粪便中，有强烈的粪便气味。然而，在非常低的浓度下，它有一种花香，是许多花香(如橙花)和香水的成分。
T4858	4-Hydroxyphenylpyruvic acid 4-羟苯基丙酮酸,4-Hydroxyphenylpyruvic acid	Endogenous Metabolite	Metabolism
	4-Hydroxyphenylpyruvic acid 是一种苯丙氨酸代谢的中间产物，是一种酶抑制剂。
T9113	Myristicin Myristicine,肉豆蔻醚	IL Receptor; Anti-infection; BCL; P450; PARP; 5-HT Receptor; Caspase; GABA Receptor; NO Synthase	Apoptosis; Chromatin/Epigenetic; DNA Damage/DNA Repair; GPCR/G Protein; Immunology/Inflammation; Membrane transporter/Ion channel; Metabolism; Microbiology/Virology; Neuroscience; Proteases/Proteasome
	Myristicin (Myristicine) 是一种在香料和伞形植物中发现的天然产物。肉豆蔻素具有抗胆碱能、抗菌和肝保护作用，还具有抗炎作用，其通过钙途径抑制dsrna 刺激的巨噬细胞中的NO、细胞因子、趋化因子和生长因子。Myristicin 可以诱导细胞凋亡，其特征是改变线粒体膜电位、细胞色素c 释放、Caspase-3激活、parp 切割和DNA 断裂。
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天然产物

trans-4-Hydroxycyclohexanecarboxylic Acid

Cat.No: T8091

Target: Others

1,3-Propanediol

Cat.No: T40585

Target: Others

5-Hydroxymethyluracil

Cat.No: T5255

Synonym: 5-(Hydroxymethyl)uracil,5-羟甲基脲嘧啶,Hydroxymethyl Uracil,a-Hydroxythymine

Target: Others, Endogenous Metabolite

Sodium 2-hydroxybutanoate

Cat.No: T4738

Synonym: 2-Hydroxybutyric acid sodium salt,2-羟基丁酸钠,DL-2-Hydroxybutyric Acid Sodium Salt,alpha-hydroxybutyrate,SODIUM 2-HYDROXYBUTYRATE

Target: Others, Endogenous Metabolite

3,4-Dimethylbenzoic acid

Cat.No: T19115

Synonym: 1-Carboxy-3,4-dimethylbenzene,3,4-二甲基苯甲酸

Target: Others

Cat.No: T0800

Synonym: Dantron,1,8-Dihydroxyanthraquinone,1,8-二羟基蒽醌,丹蒽醌,Chrysazin,Antrapurol

Target: Virus Protease, Antibacterial, AMPK, Autophagy

1,2-Dimethoxybenzene

Cat.No: T20326

Synonym: Veratrole,AI302281,AI3 02281,AI3-02281

Target: Others

Cat.No: T0496

Synonym: 肌酸酐,NSC13123

Target: Endogenous Metabolite

Cat.No: TN1684

Synonym: 人参皂苷 F5,人参皂苷F5

Target: Apoptosis

Sodium taurocholate

Cat.No: TWA2417

Synonym: 牛黄胆酸钠(牛胆酸钠，牛胆酸钠盐，牛磺膽酸鈉，牛磺胆酸钠，牛磺胆酸钠盐，牛胆酸钠水合物，水合牛磺胆酸钠，牛胆酸钠(混合物)，牛黄胆酸钠(水合)，牛磺胆酸钠(标准品)),Taurocholate Sodium

Target: Others

Cat.No: T0983

Synonym: 青霉胺,d-penicillamin,Dimethyl Cysteine,D-青霉胺,Artamine,D-(-)-Penicillamine

Target: Antibiotic

Cat.No: T2945

Target: P450, Antiviral, Influenza Virus

Cat.No: TN1081

Target: Dopamine Receptor

Stachyose hydrate

Cat.No: T5809

Synonym: Stachyose,水苏糖

Target: Others

Poricoic acid A

Cat.No: T8181

Synonym: Poricoic acid A(F),茯苓新酸 A

Target: Others

3-Nitro-L-tyrosine

Cat.No: T4890

Synonym: 3-Nitrotyrosine,3-硝基-L-酪氨酸

Target: Endogenous Metabolite

Cat.No: T11680

Target: P450

Cat.No: T3S2390

Synonym: trans-Caftaric acid,单咖啡酰洒石酸

Target: Others

3,29-O-Dibenzoyloxykarounidiol

Cat.No: TN1025

Target: Others

Cat.No: T0968

Synonym: Taxol,紫杉醇,NSC 125973

Target: Apoptosis, Microtubule Associated, Autophagy

kauran-16,17-diol

Cat.No: T4951

Target: Apoptosis, Others

3,5,7,3′,4′-Pentamethoxyflavone

Cat.No: TN2121

Synonym: 栎精-3,5,7,3',4'-五甲醚,槲皮素3,5,7,3',4'-五甲基醚,Quercetin 3,5,7,3,4-pentamethyl ether

Target: Others

Cat.No: TN6733

Synonym: KPC,甘遂大戟萜酯C

Target: Others

Ganoderenic acid B

Cat.No: T2S1120

Target: P-gp

1,2,4-Trihydroxybenzene

Cat.No: T37705

Synonym: Benzene-1,2,4-triol

Target: Calcium Channel

Lignoceric Acid

Cat.No: TN6953

Synonym: 二十四烷酸,tetracosanoic acid

Target: Endogenous Metabolite

Cat.No: T3864

Target: BCL, Antibacterial

Cat.No: T5592

Synonym: 乙酰丁香酮,Acetosyringenin

Target: Others

Cat.No: T0320

Synonym: 秋水仙碱,秋水仙素,Colcin,Colchineos,Colchisol

Target: Apoptosis, Microtubule Associated, Autophagy

Cat.No: TN6891

Synonym: hexan-1-ol,正己醇

Target: Others

2-Ketoglutaric acid Sodium

Cat.No: T4920

Synonym: Oxoglutaric acid,AKG,2-oxoglutarate monobasic,LPHA-酮戊二酸钠,α-Ketoglutaric acid sodium salt

Target: Tyrosinase, Endogenous Metabolite

S-Methyl-L-cysteine

Cat.No: T8072

Synonym: S-甲基-L-半胱氨酸,S-Methylcysteine

Target: Antioxidant, Reactive Oxygen Species

Alisol F 24-acetate

Cat.No: TMA2270

Target: P-gp

3-Oxocholic acid

Cat.No: T19124

Synonym: 3-Ketocholic acid

Target: Endogenous Metabolite

Cat.No: T4845

Synonym: 2-HYDROXYPROPIONIC ACID,L-乳酸,L-(+)-Lactic acid,(S)-2-Hydroxypropanoic acid

Target: Endogenous Metabolite, Antibacterial, Antibiotic

2,5-Furandicarboxylic acid

Cat.No: T5275

Synonym: Dehydromucic Acid,2,5-Dicarboxyfuran,2,5-呋喃二甲酸

Target: Others, Endogenous Metabolite

Pyrrole-2-carboxylic acid

Cat.No: T4716

Synonym: 吡咯-2-羧酸,2-Pyrrolecarboxylic acid,Minaline

Target: Endogenous Metabolite

Magnesium Lithospermate B

Cat.No: T20793

Synonym: 丹參酸B鎂,Monomethyl lithospermate B,丹参酸 B 镁,Lithospermate B

Target: Others

Cat.No: TQ0302

Synonym: 毒胡萝卜素

Target: Apoptosis, SARS-CoV, Calcium Channel

5-HYDROXYINDOLE-3-ACETIC ACID

Cat.No: T4744

Synonym: 5-羟基吲哚-3-乙酸,5-HIAA

Target: Others, Endogenous Metabolite

Cat.No: TN1601

Synonym: 灯心草菲酚,厄弗酚

Target: Caspase

3-Amino-2-methylpropanoic acid

Cat.No: T4887

Synonym: DL-3-AMINOISOBUTYRIC ACID,3-氨基异丁酸,α-Methyl-β-alanine

Target: Endogenous Metabolite

N-Methylhydantoin

Cat.No: T5236

Synonym: 甲酰乙内脲,Dioxy-creatinine,1-Methyl-hydantoin

Target: Others, Endogenous Metabolite

Astragalus Polysacharin

Cat.No: T2S0837

Synonym: 2-(Chloromethyl)-4-(4-nitrophenyl)thiazole,黄芪多糖,89250-26-0

Target: TAM Receptor

2,4,6-Trihydroxybenzaldehyde

Cat.No: TN1206

Target: Others

Cat.No: T3904

Target: Calcium Channel, AMPK

5-Aminovaleric acid

Cat.No: T5089

Target: Others, Endogenous Metabolite

Cat.No: T4799

Target: Others, Endogenous Metabolite

4-Hydroxyphenylpyruvic acid

Cat.No: T4858

Synonym: 4-羟苯基丙酮酸,4-Hydroxyphenylpyruvic acid

Target: Endogenous Metabolite

Cat.No: T9113

Synonym: Myristicine,肉豆蔻醚

Target: IL Receptor, Anti-infection, BCL, P450, PARP, 5-HT Receptor, Caspase, GABA Receptor, NO Synthase

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