CHEBI:75644 - procyanidin C2

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name procyanidin C2
Definition A proanthocyanidin consisting of three (+)-catechin trimer joined by two successive (4α→8)-linkages.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C45H38O18
Net Charge 0
Average Mass 866.77240
Monoisotopic Mass 866.20581
InChI InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41+,42+,43+/m0/s1
SMILES O[C@H]1Cc2c(O)cc(O)c([C@H]3[C@H](O)[C@H](Oc4c([C@H]5[C@H](O)[C@H](Oc6cc(O)cc(O)c56)c5ccc(O)c(O)c5)c(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1
Roles Classification
Chemical Role(s): antioxidant
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
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 procyanidin C2 (CHEBI:75644) has functional parent (+)-catechin (CHEBI:15600)
procyanidin C2 (CHEBI:75644) has role antioxidant (CHEBI:22586)
procyanidin C2 (CHEBI:75644) has role metabolite (CHEBI:25212)
procyanidin C2 (CHEBI:75644) is a hydroxyflavan (CHEBI:72010)
procyanidin C2 (CHEBI:75644) is a polyphenol (CHEBI:26195)
procyanidin C2 (CHEBI:75644) is a proanthocyanidin (CHEBI:26267)
Synonyms Sources
C-(4,8)-C-(4,8)-C ChEBI
catechin-(4α→8)-catechin-(4α→8)-catechin ChEBI
Procyanidin trimer C2 ChEBI
Manual Xref Database
Procyanidin_C2 Wikipedia
View more database links
Registry Number Type Source
3587024 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10631311 PubMed citation Europe PMC
12010001 PubMed citation Europe PMC
17177530 PubMed citation Europe PMC
19052524 PubMed citation Europe PMC
IND22046067 Agricola citation Europe PMC
Last Modified
22 November 2013