procyanidin C2 (CHEBI:75644)

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CHEBI:75644 - procyanidin C2

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ChEBI ID	CHEBI:75644
ChEBI Name	procyanidin C2
Stars
Definition	A proanthocyanidin consisting of three (+)-catechin trimer joined by two successive (4α→8)-linkages.
Last Modified	22 November 2013
Submitter	mwilliams
Downloads	Molfile

Formula	C45H38O18
Net Charge	0
Average Mass	866.781
Monoisotopic Mass	866.20581
SMILES	Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2
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
InChIKey	MOJZMWJRUKIQGL-WNCKYJNFSA-N

Wikipedia

Roles Classification

Chemical Role:	antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Role:	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:	astringent A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.

ChEBI Ontology

Outgoing Relation(s)
	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)

IUPAC Name
(2R,2'R,2''R,3S,3'S,3''S,4S,4'R)-2,2',2''-tris(3,4-dihydroxyphenyl)-3,3',3'',4,4',4''-hexahydro-2H,2'H,2''H-4,8':4',8''-terchromene-3,3',3'',5,5',5'',7,7',7''-nonol

Synonyms	Source
catechin-(4α→8)-catechin-(4α→8)-catechin	ChEBI
Procyanidin trimer C2	ChEBI
C-(4,8)-C-(4,8)-C	ChEBI

Manual Xrefs	Databases
Procyanidin_C2	Wikipedia

Registry Numbers	Sources
Reaxys:3587024	Reaxys

Citations