(+)-Epicatechin
(2S,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Molecular Identity
(+)-Epicatechin
(2S,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
PubChem CID: 182232
(+)-epicatechin is a catechin that is flavan carrying five hydroxy substituents at positions 3, 3', 4', 5 and 7 (the 2S,3S-stereoisomer). It has a role as a cyclooxygenase 1 inhibitor and a plant metabolite. It is a catechin and a polyphenol. It is an enantiomer of a (-)-epicatechin.
2D Structure
Properties
C15H14O6
Molecular Formula
290.27
Molecular Weight
g/mol
290.0790
Exact Mass
Da
0.4
XLogP
Drug-like (Lipinski: < 5)
110
TPSA
Good oral absorption (< 140 A²)
5
H-Bond Donors
6
H-Bond Acceptors
364
Complexity
SMILES
Canonical SMILES
SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OIsomeric SMILES
SMILES: C1[C@@H]([C@@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OSynonyms(20)
(+)-Epicatechin35323-91-2ent-EpicatechinDEXEPICATECHIN(2S,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triolEpicatechin, (+)-LD6B6TT8Q5(2S,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triolCHEBI:76125DTXSID401316979RefChem:67354DTXCID801746801d-Epicatechin(+)-epicatechol(2S,3S)-2-(3,4-dihydroxyphenyl)chroman-3,5,7-triol
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to (+)-Epicatechin
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