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CHEBI:70008 - quercetin 3,4'-dimethyl ether

Default Structure
ChEBI IDCHEBI:70008
ChEBI Namequercetin 3,4'-dimethyl ether
Stars
DefinitionA dimethoxyflavone that is the 3,4'-dimethyl ether derivative of quercetin. Isolated from Combretum quadrangulare, it exhibits antineoplastic activity.
Last Modified29 April 2013
DownloadsMolfile
FormulaC17H14O7
Net Charge0
Average Mass330.292
Monoisotopic Mass330.07395
SMILESCOc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)cc1O
InChIInChI=1S/C17H14O7/c1-22-12-4-3-8(5-10(12)19)16-17(23-2)15(21)14-11(20)6-9(18)7-13(14)24-16/h3-7,18-20H,1-2H3
InChIKeyZSPZNFOLWQEVQJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Combretum quadrangulare (IPNI:170410-1) leaf (BTO:0000713) PubMed (21265555) Methanolic extract of leaves
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)
quercetin 3,4'-dimethyl ether (CHEBI:70008) has functional parent quercetin (CHEBI:16243)
quercetin 3,4'-dimethyl ether (CHEBI:70008) has role antineoplastic agent (CHEBI:35610)
quercetin 3,4'-dimethyl ether (CHEBI:70008) has role metabolite (CHEBI:25212)
quercetin 3,4'-dimethyl ether (CHEBI:70008) is a dimethoxyflavone (CHEBI:23798)
quercetin 3,4'-dimethyl ether (CHEBI:70008) is a trihydroxyflavone (CHEBI:27116)
IUPAC Name 
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-4H-chromen-4-one
Synonym  Source
5,7,3'-trihydroxy-3,4'-dimethoxyflavoneChEBI
Manual XrefsDatabases
LMPK12112761LIPID MAPS
Registry NumbersSources
Reaxys:331172Reaxys
Citations