EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:66097 - isorhamnetin 3-O-α-L-[6''''-p-coumaroyl-β-D-glucopyranosyl-(1→2)-rhamnopyranoside]

ChEBI IDCHEBI:66097
ChEBI Nameisorhamnetin 3-O-α-L-[6''''-p-coumaroyl-β-D-glucopyranosyl-(1→2)-rhamnopyranoside]
Stars
ASCII Nameisorhamnetin 3-O-alpha-L-[6''''-p-coumaroyl-beta-D-glucopyranosyl-(1->2)-rhamnopyranoside]
DefinitionA glycosyloxyflavone that consists of isorhamnetin substituted by a α-L-(6''''-p-coumaroyl-β-D-glucopyranosyl)-(1→2)-rhamnopyranosyl moiety at position 3 via a glycosidic linkage. Isolated from Ginkgo biloba, it exhibits antioxidant activity.
Last Modified4 March 2013
DownloadsMolfile
FormulaC37H38O18
Net Charge0
Average Mass770.693
Monoisotopic Mass770.20581
SMILES[H][C@@]1(O[C@H]2[C@H](Oc3c(-c4ccc(O)c(OC)c4)oc4cc(O)cc(O)c4c3=O)O[C@@H](C)[C@H](O)[C@H]2O)O[C@H](COC(=O)/C=C/c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C37H38O18/c1-15-27(43)31(47)35(55-36-32(48)30(46)28(44)24(53-36)14-50-25(42)10-5-16-3-7-18(38)8-4-16)37(51-15)54-34-29(45)26-21(41)12-19(39)13-23(26)52-33(34)17-6-9-20(40)22(11-17)49-2/h3-13,15,24,27-28,30-32,35-41,43-44,46-48H,14H2,1-2H3/b10-5+/t15-,24+,27-,28+,30-,31+,32+,35+,36-,37-/m0/s1
InChIKeyNACZCQPMPCWDEE-APOKSGMJSA-N
Species of MetaboliteComponentSourceComments
Ginkgo biloba (ncbitaxon:3311) leaf (BTO:0000713) DOI (10.1016/S0031-9422(01)00320-X)
Roles Classification
Biological Role:
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)
isorhamnetin 3-O-α-L-[6''''-p-coumaroyl-β-D-glucopyranosyl-(1→2)-rhamnopyranoside] (CHEBI:66097) has functional parent trans-4-coumaric acid (CHEBI:32374)
isorhamnetin 3-O-α-L-[6''''-p-coumaroyl-β-D-glucopyranosyl-(1→2)-rhamnopyranoside] (CHEBI:66097) has functional parent isorhamnetin (CHEBI:6052)
isorhamnetin 3-O-α-L-[6''''-p-coumaroyl-β-D-glucopyranosyl-(1→2)-rhamnopyranoside] (CHEBI:66097) has role metabolite (CHEBI:25212)
isorhamnetin 3-O-α-L-[6''''-p-coumaroyl-β-D-glucopyranosyl-(1→2)-rhamnopyranoside] (CHEBI:66097) is a cinnamate ester (CHEBI:36087)
isorhamnetin 3-O-α-L-[6''''-p-coumaroyl-β-D-glucopyranosyl-(1→2)-rhamnopyranoside] (CHEBI:66097) is a disaccharide derivative (CHEBI:63353)
isorhamnetin 3-O-α-L-[6''''-p-coumaroyl-β-D-glucopyranosyl-(1→2)-rhamnopyranoside] (CHEBI:66097) is a glycosyloxyflavone (CHEBI:50018)
isorhamnetin 3-O-α-L-[6''''-p-coumaroyl-β-D-glucopyranosyl-(1→2)-rhamnopyranoside] (CHEBI:66097) is a monomethoxyflavone (CHEBI:25401)
isorhamnetin 3-O-α-L-[6''''-p-coumaroyl-β-D-glucopyranosyl-(1→2)-rhamnopyranoside] (CHEBI:66097) is a trihydroxyflavone (CHEBI:27116)
IUPAC Name 
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl 6-deoxy-2-O-{6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-β-D-glucopyranosyl}-α-L-mannopyranoside
Manual XrefsDatabases
9193345ChemSpider
Registry NumbersSources
Reaxys:9181336Reaxys