Epicatechin Gallate
[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
Molecular Identity
Epicatechin Gallate
[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
PubChem CID: 107905
(-)-epicatechin-3-O-gallate is a gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of epicatechin. A natural product found in Parapiptadenia rigida. It has a role as a metabolite, an EC 3.2.1.1 (alpha-amylase) inhibitor and an EC 3.2.1.20 (alpha-glucosidase) inhibitor. It is a catechin, a polyphenol and a gallate ester. It is functionally related to a gallic acid and a (-)-epicatechin.
2D Structure
Properties
C22H18O10
Molecular Formula
442.40
Molecular Weight
g/mol
442.0900
Exact Mass
Da
1.5
XLogP
Drug-like (Lipinski: < 5)
177
TPSA
May have limited oral absorption
7
H-Bond Donors
10
H-Bond Acceptors
649
Complexity
SMILES
Canonical SMILES
SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)OIsomeric SMILES
SMILES: C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)OSynonyms(20)
Epicatechin gallate92587OVD8ZEpicatechin-3-galloyl esterDTXSID70925231NSC-636594RefChem:590910DTXCID101354061863-03-6(-)-Epicatechin gallate1257-08-5(-)-epicatechingallate(-)-Epicatechin-3-O-gallate(-)-Epicatechin-3-gallateL-Epicatechin gallateepicatechin monogallate
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Epicatechin Gallate
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