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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5-hydroxy-2-methylchromone-7-O-rutinoside
ChEBI ID CHEBI:66371
ChEBI ASCII Name 5-hydroxy-2-methylchromone-7-O-rutinoside
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C22H28O13
Net Charge 0
Average Mass 500.44990
Monoisotopic Mass 500.15299
InChI InChI=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
InChIKey LYGONQRLEVFULH-HLUXVQISSA-N
SMILES C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(c3)oc(C)cc4=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Metabolite of Species Details
Crossosoma bigelovii (NCBI:txid105808) Found in fruit (BTO:0000486). See: PubMed
Crossosoma bigelovii (NCBI:txid105808) Found in leaf (BTO:0000713). See: PubMed
Crossosoma bigelovii (NCBI:txid105808) Found in flower (BTO:0000469). See: PubMed
Crossosoma bigelovii (NCBI:txid105808) Found in twig (BTO:0001411). 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 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 2 ChEBI
Registry Number Type Source
21404079 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
19405508 PubMed citation Europe PMC
Last Modified
21 August 2013