(4alpha->8)-bis-4'-O-methylgallocatechin (CHEBI:68145)

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CHEBI:68145 - (4α→8)-bis-4'-O-methylgallocatechin

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ChEBI ID	CHEBI:68145
ChEBI Name	(4α→8)-bis-4'-O-methylgallocatechin
Stars
ASCII Name	(4alpha->8)-bis-4'-O-methylgallocatechin
Definition	A natural product found in Parapiptadenia rigida.
Last Modified	27 October 2014
Downloads	Molfile

Formula	C32H30O14
Net Charge	0
Average Mass	638.578
Monoisotopic Mass	638.16356
SMILES	COc1c(O)cc([C@H]2Oc3cc(O)cc(O)c3[C@@H](c3c(O)cc(O)c4c3O[C@H](c3cc(O)c(OC)c(O)c3)[C@@H](O)C4)[C@@H]2O)cc1O
InChI	InChI=1S/C32H30O14/c1-43-31-18(37)3-11(4-19(31)38)28-22(41)9-14-15(34)10-17(36)25(30(14)46-28)26-24-16(35)7-13(33)8-23(24)45-29(27(26)42)12-5-20(39)32(44-2)21(40)6-12/h3-8,10,22,26-29,33-42H,9H2,1-2H3/t22-,26-,27-,28+,29+/m0/s1
InChIKey	ISROEXZIVCZASE-AVFWISQGSA-N

Species of Metabolite	Component	Source	Comments
Parapiptadenia rigida (ncbitaxon:148713)	bark (BTO:0001301)	PubMed (21553897)	EtOH extract of air-dried and powdered bark, compound is a mixture of two stable rotamers

Roles Classification

astringent A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.

ChEBI Ontology

Outgoing Relation(s)
	(4α→8)-bis-4'-O-methylgallocatechin (CHEBI:68145) is a biflavonoid (CHEBI:50128)
	(4α→8)-bis-4'-O-methylgallocatechin (CHEBI:68145) is a hydroxyflavan (CHEBI:72010)
	(4α→8)-bis-4'-O-methylgallocatechin (CHEBI:68145) is a methoxyflavan (CHEBI:72585)
	(4α→8)-bis-4'-O-methylgallocatechin (CHEBI:68145) is a proanthocyanidin (CHEBI:26267)

IUPAC Name
(2R,2'R,3S,3'S,4S)-2,2'-bis(3,5-dihydroxy-4-methoxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5,5',7,7'-hexol

Registry Numbers	Sources
Reaxys:8381156	Reaxys

Citations