CHEBI:70256 - 4'-O-methylepigallocatechin-3-O-gallate

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ChEBI Name 4'-O-methylepigallocatechin-3-O-gallate
ChEBI ID CHEBI:70256
Definition A natural product found in Parapiptadenia rigida.
Stars This entity has been manually annotated by a third party.
Supplier Information ChemicalBook:CB8461799, eMolecules:531175, eMolecules:17497545, Selleckchem:prostaglandin-e2-cervidil, ZINC000003830713
Download Molfile XML SDF
Formula C23H20O11
Net Charge 0
Average Mass 472.39830
Monoisotopic Mass 472.10056
InChI InChI=1S/C23H20O11/c1-32-22-16(28)2-9(3-17(22)29)21-19(8-12-13(25)6-11(24)7-18(12)33-21)34-23(31)10-4-14(26)20(30)15(27)5-10/h2-7,19,21,24-30H,8H2,1H3/t19-,21-/m1/s1
InChIKey NPUWDJQZPQKPAA-TZIWHRDSSA-N
SMILES COc1c(O)cc(cc1O)[C@H]1Oc2cc(O)cc(O)c2C[C@H]1OC(=O)c1cc(O)c(O)c(O)c1
Metabolite of Species Details
Parapiptadenia rigida (NCBI:txid148713) Found in bark (BTO:0001301). Ethanolic extract of air-dried, powdered bark See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4'-O-methylepigallocatechin-3-O-gallate (CHEBI:70256) has role metabolite (CHEBI:25212)
4'-O-methylepigallocatechin-3-O-gallate (CHEBI:70256) is a catechin (CHEBI:23053)
Synonym Source
[(2R,3R)-2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate ChEBI
Citation Type Source
21080642 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:catechin(CHEBI:23053); ISA:flavonoids(CHEBI:72544); ISA:ether(CHEBI:25698); ISA:hydroxyflavonoid(CHEBI:71968); ISA:gallate ester(CHEBI:37576); ISA:1-benzopyran(CHEBI:38443); ISA:phenols(CHEBI:33853); ISA:methoxybenzene(CHEBI:51683); ISA:benzoate ester(CHEBI:36054); ISA:benzenetriol(CHEBI:22707); ISA:benzyl ether(CHEBI:59859); ISA:resorcinols(CHEBI:33572); ISA:catechols(CHEBI:33566); ISA:carbonyl compound(CHEBI:36586); ISA:aromatic ether(CHEBI:35618); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:carboxylic ester(CHEBI:33308); ISA:polyol(CHEBI:26191); ISA:organonitrogen compound(CHEBI:35352); ISA:monocarboxylic acid(CHEBI:25384); ISA:aromatic alcohol(CHEBI:33854);