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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name kaempferol 7-O-(2,3-di-E-p-coumaroyl-α-L-rhamnopyranoside)
ChEBI ID CHEBI:66133
ChEBI ASCII Name kaempferol 7-O-(2,3-di-E-p-coumaroyl-alpha-L-rhamnopyranoside)
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C39H32O14
Net Charge 0
Average Mass 724.66300
Monoisotopic Mass 724.17921
InChI InChI=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
InChIKey MCRKSHUHZRIUDW-UHXFTNJJSA-N
SMILES C[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(-c2ccc(O)cc2)c(O)c3=O)[C@H](OC(=O)\C=C\c2ccc(O)cc2)[C@H](OC(=O)\C=C\c2ccc(O)cc2)[C@H]1O
Metabolite of Species Details
Tetrapanax papyriferus (NCBI:txid46417) Found in flower (BTO:0000469). See: PubMed
Tetrapanax papyriferus (NCBI:txid46417) Found in fruit (BTO:0000486). See: PubMed
Roles Classification
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): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Number Type Source
15775334 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
16378372 PubMed citation Europe PMC
Last Modified
27 November 2013