Drug Information

Drug General Information
Drug ID
D05TPI
Former ID
DNC013888
Drug Name
EPICATECHIN
Drug Type
Small molecular drug
Indication Discovery agent Phase 2 [524066]
Structure
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2D MOL

3D MOL
Formula
C15H14O6
Canonical SMILES
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
InChI
1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2
InChIKey
PFTAWBLQPZVEMU-UHFFFAOYSA-N
PubChem Compound ID
72276
Target and Pathway
Target(s) Prostaglandin G/H synthase 1 Target Info Inhibitor [527310]
BioCyc Pathway C20 prostanoid biosynthesis
KEGG Pathway Arachidonic acid metabolism
Metabolic pathways
Platelet activation
Serotonergic synapse
NetPath Pathway TGF_beta_Receptor Signaling Pathway
PANTHER Pathway Inflammation mediated by chemokine and cytokine signaling pathway
PathWhiz Pathway Arachidonic Acid Metabolism
WikiPathways Prostaglandin Synthesis and Regulation
Arachidonic acid metabolism
Phase 1 - Functionalization of compounds
Eicosanoid Synthesis
Selenium Micronutrient Network
References
Ref 524066ClinicalTrials.gov (NCT01690676) Effect of an Apple Polyphenol Extract on Brachial Artery Flow-mediated Vasodilatory Function. U.S. National Institutes of Health.
Ref 527310J Nat Prod. 2004 Nov;67(11):1777-82.Mechanism-based inactivation of COX-1 by red wine m-hydroquinones: a structure-activity relationship study.

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