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CHEBI:66371 - 5-hydroxy-2-methylchromone-7-O-rutinoside

ChEBI IDCHEBI:66371
ChEBI Name5-hydroxy-2-methylchromone-7-O-rutinoside
Stars
ASCII Name5-hydroxy-2-methylchromone-7-O-rutinoside
DefinitionA disaccharide derivative that consists of 5-hydroxy-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
FormulaC22H28O13
Net Charge0
Average Mass500.453
Monoisotopic Mass500.15299
SMILESCc1cc(=O)c2c(O)cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc2o1
InChIInChI=1S/C22H28O13/c1-7-3-10(23)14-11(24)4-9(5-12(14)32-7)34-22-20(30)18(28)16(26)13(35-22)6-31-21-19(29)17(27)15(25)8(2)33-21/h3-5,8,13,15-22,24-30H,6H2,1-2H3/t8-,13+,15-,16+,17+,18-,19+,20+,21+,22+/m0/s1
InChIKeyLYGONQRLEVFULH-HLUXVQISSA-N
Species of MetaboliteComponentSourceComments
Crossosoma bigelovii (ncbitaxon:105808)
leaf (BTO:0000713) PubMed (19405508)
twig (BTO:0001411) PubMed (19405508)
fruit (BTO:0000486) PubMed (19405508)
flower (BTO:0000469) 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-2-methylchromone-7-O-rutinoside (CHEBI:66371) has role antineoplastic agent (CHEBI:35610)
5-hydroxy-2-methylchromone-7-O-rutinoside (CHEBI:66371) has role metabolite (CHEBI:25212)
5-hydroxy-2-methylchromone-7-O-rutinoside (CHEBI:66371) is a chromones (CHEBI:23238)
5-hydroxy-2-methylchromone-7-O-rutinoside (CHEBI:66371) is a disaccharide derivative (CHEBI:63353)
5-hydroxy-2-methylchromone-7-O-rutinoside (CHEBI:66371) is a phenols (CHEBI:33853)
5-hydroxy-2-methylchromone-7-O-rutinoside (CHEBI:66371) is a rutinoside (CHEBI:26587)
IUPAC Name 
5-hydroxy-2-methyl-4-oxo-4H-chromen-7-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside
Synonym  Source
2-methylchromone glycoside 2ChEBI
Registry NumbersSources
Reaxys:21404079Reaxys
Citations