CHEBI:31018 - (+)-gallocatechin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (+)-gallocatechin
ChEBI ID CHEBI:31018
Definition A gallocatechin that has (2R,3S)-configuration. It is found in green tea and bananas.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C15H14O7
Net Charge 0
Average Mass 306.26750
Monoisotopic Mass 306.074
InChI InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1
InChIKey XMOCLSLCDHWDHP-SWLSCSKDSA-N
SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1
Roles Classification
Chemical Role(s): antioxidant
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
radical scavenger
A role played by a substance that can react readily with, and thereby eliminate, radicals.
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via gallocatechin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (+)-gallocatechin (CHEBI:31018) has role antioxidant (CHEBI:22586)
(+)-gallocatechin (CHEBI:31018) has role metabolite (CHEBI:25212)
(+)-gallocatechin (CHEBI:31018) has role radical scavenger (CHEBI:48578)
(+)-gallocatechin (CHEBI:31018) is a gallocatechin (CHEBI:68330)
(+)-gallocatechin (CHEBI:31018) is enantiomer of (−)-gallocatechin (CHEBI:71225)
Incoming (−)-epicatechin-(4β→8)-(+)-gallocatechin (CHEBI:75672) has functional parent (+)-gallocatechin (CHEBI:31018)
(+)-catechin-(4α→6)-(+)-gallocatechin (CHEBI:75674) has functional parent (+)-gallocatechin (CHEBI:31018)
(+)-gallocatechin-(4α→6)-(+)-catechin (CHEBI:75671) has functional parent (+)-gallocatechin (CHEBI:31018)
(+)-gallocatechin-(4α→8)-(−)-epicatechin (CHEBI:75666) has functional parent (+)-gallocatechin (CHEBI:31018)
(+)-gallocatechin-(4α→8)-(+)-catechin (CHEBI:75664) has functional parent (+)-gallocatechin (CHEBI:31018)
(+)-gallocatechin-(4β→8)-(+)-catechin (CHEBI:75668) has functional parent (+)-gallocatechin (CHEBI:31018)
(2R,3S,4S)-leucodelphinidin (CHEBI:6417) has functional parent (+)-gallocatechin (CHEBI:31018)
(−)-gallocatechin (CHEBI:71225) is enantiomer of (+)-gallocatechin (CHEBI:31018)
IUPAC Name
(2R,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Synonyms Sources
(+)-gallocatechol ChEBI
(2R,3S)-(+)-gallocatechin ChEBI
(2R,3S)-flavan-3,3',4',5,5',7-hexol ChEBI
(2R,3S)-flavan-3,5,7,3',4',5'-hexol ChEBI
(2R,3S)-gallocatechin ChEBI
gallocatechin ChEBI
Database Link Database
C12127 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
94058 Reaxys Registry Number Reaxys
970-73-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
22430120 PubMed citation Europe PMC
9741297 PubMed citation Europe PMC
Last Modified
19 September 2013