EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:31018 - (+)-gallocatechin

ChEBI IDCHEBI:31018
ChEBI Name(+)-gallocatechin
Stars
DefinitionA gallocatechin that has (2R,3S)-configuration. It is found in green tea and bananas.
Last Modified20 April 2021
DownloadsMolfile
FormulaC15H14O7
Net Charge0
Average Mass306.270
Monoisotopic Mass306.07395
SMILESOc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2
InChIInChI=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
InChIKeyXMOCLSLCDHWDHP-SWLSCSKDSA-N
Roles Classification
Chemical Roles:
radical scavenger  A role played by a substance that can react readily with, and thereby eliminate, radicals.
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(+)-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 Relation(s)
(+)-catechin-(4α→6)-(+)-gallocatechin (CHEBI:75674) has functional parent (+)-gallocatechin (CHEBI:31018)
(+)-gallocatechin gallate (CHEBI:156284) has functional parent (+)-gallocatechin (CHEBI:31018)
(+)-gallocatechin-(4α→6)-(+)-catechin (CHEBI:75671) has functional parent (+)-gallocatechin (CHEBI:31018)
(+)-gallocatechin-(4α→8)-(+)-catechin (CHEBI:75664) has functional parent (+)-gallocatechin (CHEBI:31018)
(+)-gallocatechin-(4α→8)-(−)-epicatechin (CHEBI:75666) has functional parent (+)-gallocatechin (CHEBI:31018)
(+)-gallocatechin-(4β→8)-(+)-catechin (CHEBI:75668) has functional parent (+)-gallocatechin (CHEBI:31018)
(−)-epicatechin-(4β→8)-(+)-gallocatechin (CHEBI:75672) has functional parent (+)-gallocatechin (CHEBI:31018)
(2R,3S,4S)-leucodelphinidin (CHEBI:6417) has functional parent (+)-gallocatechin (CHEBI:31018)
fisetinidol-(4α,6)-gallocatechin (CHEBI:68335) has functional parent (+)-gallocatechin (CHEBI:31018)
robinetinidol-(4α,8)-gallocatechin (CHEBI:68332) 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  Source
(+)-gallocatecholChEBI
(2R,3S)-flavan-3,3',4',5,5',7-hexolChEBI
(2R,3S)-gallocatechinChEBI
(2R,3S)-flavan-3,5,7,3',4',5'-hexolChEBI
(2R,3S)-(+)-gallocatechinChEBI
gallocatechinChEBI
Manual XrefsDatabases
C12127KEGG COMPOUND
C00008817KNApSAcK
58594ChemSpider
Registry NumbersSources
Reaxys:94058Reaxys
CAS:970-73-0KEGG COMPOUND
CAS:970-73-0ChemIDplus
Citations