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CHEBI:66370 - 5-hydroxy-6-methoxy-2-methylchromone-7-O-rutinoside

ChEBI IDCHEBI:66370
ChEBI Name5-hydroxy-6-methoxy-2-methylchromone-7-O-rutinoside
Stars
ASCII Name5-hydroxy-6-methoxy-2-methylchromone-7-O-rutinoside
DefinitionA disaccharide derivative that consists of 5,7-dihydroxy-6-methoxy-2-methylchromone substituted by a rutinosyl group at position 7 via a glycosidic linkage. Isolated from Crossosoma bigelovii, it exhibits antineoplastic activity.
Last Modified21 August 2013
DownloadsMolfile
FormulaC23H30O14
Net Charge0
Average Mass530.479
Monoisotopic Mass530.16356
SMILESCOc1c(O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(C)cc(=O)c2c1O
InChIInChI=1S/C23H30O14/c1-7-4-9(24)13-10(34-7)5-11(21(32-3)16(13)27)36-23-20(31)18(29)15(26)12(37-23)6-33-22-19(30)17(28)14(25)8(2)35-22/h4-5,8,12,14-15,17-20,22-23,25-31H,6H2,1-3H3/t8-,12+,14-,15+,17+,18-,19+,20+,22+,23+/m0/s1
InChIKeySBMOEJYIIKODKJ-JVBHFNPYSA-N
Species of MetaboliteComponentSourceComments
Crossosoma bigelovii (ncbitaxon:105808)
flower (BTO:0000469) PubMed (19405508)
twig (BTO:0001411) PubMed (19405508)
fruit (BTO:0000486) PubMed (19405508)
leaf (BTO:0000713) PubMed (19405508)
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)
5-hydroxy-6-methoxy-2-methylchromone-7-O-rutinoside (CHEBI:66370) has role antineoplastic agent (CHEBI:35610)
5-hydroxy-6-methoxy-2-methylchromone-7-O-rutinoside (CHEBI:66370) has role metabolite (CHEBI:25212)
5-hydroxy-6-methoxy-2-methylchromone-7-O-rutinoside (CHEBI:66370) is a aromatic ether (CHEBI:35618)
5-hydroxy-6-methoxy-2-methylchromone-7-O-rutinoside (CHEBI:66370) is a chromones (CHEBI:23238)
5-hydroxy-6-methoxy-2-methylchromone-7-O-rutinoside (CHEBI:66370) is a disaccharide derivative (CHEBI:63353)
5-hydroxy-6-methoxy-2-methylchromone-7-O-rutinoside (CHEBI:66370) is a phenols (CHEBI:33853)
5-hydroxy-6-methoxy-2-methylchromone-7-O-rutinoside (CHEBI:66370) is a rutinoside (CHEBI:26587)
IUPAC Name 
5-hydroxy-6-methoxy-2-methyl-4-oxo-4H-chromen-7-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside
Synonym  Source
2-methylchromone glycoside 1ChEBI
Registry NumbersSources
Reaxys:19718134Reaxys
Citations