CHEBI:75674 - (+)-catechin-(4α→6)-(+)-gallocatechin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (+)-catechin-(4α→6)-(+)-gallocatechin
ChEBI ID CHEBI:75674
ChEBI ASCII Name (+)-catechin-(4alpha->6)-(+)-gallocatechin
Definition A proanthocyanidin consisting of (+)-catechin and (+)-gallocatechin units joined by a (4α→6)-linkage.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB21387988, ZINC000006090922
Download Molfile XML SDF
Formula C30H26O13
Net Charge 0
Average Mass 594.51960
Monoisotopic Mass 594.13734
InChI InChI=1S/C30H26O13/c31-12-6-16(34)23-22(7-12)43-30(10-1-2-14(32)15(33)3-10)28(41)25(23)24-17(35)9-21-13(26(24)39)8-20(38)29(42-21)11-4-18(36)27(40)19(37)5-11/h1-7,9,20,25,28-41H,8H2/t20-,25-,28-,29+,30+/m0/s1
InChIKey AZMXXZBSZWQUMG-UJQPEBFZSA-N
SMILES O[C@H]1Cc2c(O[C@@H]1c1cc(O)c(O)c(O)c1)cc(O)c([C@H]1[C@H](O)[C@H](Oc3cc(O)cc(O)c13)c1ccc(O)c(O)c1)c2O
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.
Application(s): astringent
A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.
(via tannin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (+)-catechin-(4α→6)-(+)-gallocatechin (CHEBI:75674) has functional parent (+)-catechin (CHEBI:15600)
(+)-catechin-(4α→6)-(+)-gallocatechin (CHEBI:75674) has functional parent (+)-gallocatechin (CHEBI:31018)
(+)-catechin-(4α→6)-(+)-gallocatechin (CHEBI:75674) has role metabolite (CHEBI:25212)
(+)-catechin-(4α→6)-(+)-gallocatechin (CHEBI:75674) is a biflavonoid (CHEBI:50128)
(+)-catechin-(4α→6)-(+)-gallocatechin (CHEBI:75674) is a hydroxyflavan (CHEBI:72010)
(+)-catechin-(4α→6)-(+)-gallocatechin (CHEBI:75674) is a polyphenol (CHEBI:26195)
(+)-catechin-(4α→6)-(+)-gallocatechin (CHEBI:75674) is a proanthocyanidin (CHEBI:26267)
IUPAC Name
(2R,2'R,3S,3'S,4R)-2-(3,4-dihydroxyphenyl)-2'-(3,4,5-trihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,6'-bichromene-3,3',5,5',7,7'-hexol
Registry Number Type Source
10634491 Reaxys Registry Number Reaxys
Last Modified
25 November 2013