Procyanidin C1
(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
Molecular Identity
Procyanidin C1
(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
PubChem CID: 169853
Procyanidin C1 is a proanthocyanidin consisting of three ()-epicatechin units joined by two successive (4beta8)-linkages. It has a role as an antioxidant, a metabolite, an EC 1.17.3.2 (xanthine oxidase) inhibitor, a lipoxygenase inhibitor, an anti-inflammatory agent and an EC 3.2.1.20 (alpha-glucosidase) inhibitor. It is a polyphenol, a proanthocyanidin and a hydroxyflavan. It is functionally related to a (-)-epicatechin.
2D Structure
Properties
C45H38O18
Molecular Formula
866.80
Molecular Weight
g/mol
866.2058
Exact Mass
Da
3.3
XLogP
Drug-like (Lipinski: < 5)
331
TPSA
May have limited oral absorption
15
H-Bond Donors
18
H-Bond Acceptors
1550
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Procyanidin C137064-30-5Procyanidol C1Proanthocyanidin C1Procyanidin trimer C133516LCW4F(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triolEpicatechin-(4beta->8)-epicatechin-(4beta->8)-epicatechinCHEBI:75643DTXSID10190562(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-((2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl)-8-((2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl)-3,4-dihydro-2H-chromene-3,5,7-triol(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-8-((2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl)-4-((2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triolRefChem:47053DTXCID50113053
Data from PubChem (NCBI)
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