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CHEBI:66133 - kaempferol 7-O-(2,3-di-E-p-coumaroyl-α-L-rhamnopyranoside)

ChEBI IDCHEBI:66133
ChEBI Namekaempferol 7-O-(2,3-di-E-p-coumaroyl-α-L-rhamnopyranoside)
Stars
ASCII Namekaempferol 7-O-(2,3-di-E-p-coumaroyl-alpha-L-rhamnopyranoside)
DefinitionA glycosyloxyflavone that consists of kaempferol attached to a 2,3-di-E-p-coumaroyl-α-L-rhamnopyranosyl moiety at position 7. Isolated from the flowers and fruits of Tetrapanax papyriferus, it exhibits antineoplastic activity.
Last Modified27 November 2013
DownloadsMolfile
FormulaC39H32O14
Net Charge0
Average Mass724.671
Monoisotopic Mass724.17921
SMILESC[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc3c2)[C@H](OC(=O)/C=C/c2ccc(O)cc2)[C@H](OC(=O)/C=C/c2ccc(O)cc2)[C@H]1O
InChIInChI=1S/C39H32O14/c1-20-33(46)37(52-30(44)16-6-21-2-10-24(40)11-3-21)38(53-31(45)17-7-22-4-12-25(41)13-5-22)39(49-20)50-27-18-28(43)32-29(19-27)51-36(35(48)34(32)47)23-8-14-26(42)15-9-23/h2-20,33,37-43,46,48H,1H3/b16-6+,17-7+/t20-,33-,37+,38+,39-/m0/s1
InChIKeyMCRKSHUHZRIUDW-UHXFTNJJSA-N
Species of MetaboliteComponentSourceComments
Tetrapanax papyriferus (ncbitaxon:46417)
fruit (BTO:0000486) PubMed (16378372)
flower (BTO:0000469) PubMed (16378372)
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.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
kaempferol 7-O-(2,3-di-E-p-coumaroyl-α-L-rhamnopyranoside) (CHEBI:66133) has functional parent trans-4-coumaric acid (CHEBI:32374)
kaempferol 7-O-(2,3-di-E-p-coumaroyl-α-L-rhamnopyranoside) (CHEBI:66133) has role antineoplastic agent (CHEBI:35610)
kaempferol 7-O-(2,3-di-E-p-coumaroyl-α-L-rhamnopyranoside) (CHEBI:66133) has role metabolite (CHEBI:25212)
kaempferol 7-O-(2,3-di-E-p-coumaroyl-α-L-rhamnopyranoside) (CHEBI:66133) is a cinnamate ester (CHEBI:36087)
kaempferol 7-O-(2,3-di-E-p-coumaroyl-α-L-rhamnopyranoside) (CHEBI:66133) is a glycosyloxyflavone (CHEBI:50018)
kaempferol 7-O-(2,3-di-E-p-coumaroyl-α-L-rhamnopyranoside) (CHEBI:66133) is a monosaccharide derivative (CHEBI:63367)
IUPAC Name 
3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-deoxy-2,3-bis-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-α-L-mannopyranoside
Registry NumbersSources
Reaxys:15775334Reaxys
Citations