Epicatechin 3-O-(3-O-methyl)gallate
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Epicatechin 3-O-(3-O-methyl)gallate
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CAS No:
83104-86-3
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Formula:
C23H20O10
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Chemical Name:
Epicatechin 3-O-(3-O-methyl)gallate
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Synonyms:
Benzoic acid,3,4-dihydroxy-5-methoxy-,(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester;Benzoic acid,3,4-dihydroxy-5-methoxy-,2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester,(2R-cis)-;Epicatechin 3-O-(3-O-methyl)gallate;(-)-Epicatechin 3-(3′′-O-methyl)gallate
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CAS No:
Description
Epicatechin 3-O-(3'-O-methylgallate) is a gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of epicatechin. It has a role as a Camellia sinensis metabolite and an anti-inflammatory agent. It is a member of flavans, a gallate ester, a polyphenol and a monomethoxybenzene. It derives from a (-)-epicatechin.
Epicatechin 3-O-(3-O-methyl)gallate Use and Manufacturing
Polyketides [PK] -> Flavonoids [PK12] -> Flavans, Flavanols and Leucoanthocyanidins [PK1202]
Computed Properties
Molecular Weight:456.4
XLogP3:1.9
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:5
Exact Mass:456.10564683
Monoisotopic Mass:456.10564683
Topological Polar Surface Area:166
Heavy Atom Count:33
Complexity:676
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Epicatechin 3-O-(3-O-methyl)gallate
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