EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:70024 - quercetin 7,3',4'-trimethyl ether

Default Structure
ChEBI IDCHEBI:70024
ChEBI Namequercetin 7,3',4'-trimethyl ether
Stars
DefinitionA trimethoxyflavone that is the 7,3',4'-trimethyl ether derivative of quercetin. It has been isolated from Euodia confusa.
Last Modified12 December 2017
DownloadsMolfile
FormulaC18H16O7
Net Charge0
Average Mass344.319
Monoisotopic Mass344.08960
SMILESCOc1cc(O)c2c(=O)c(O)c(-c3ccc(OC)c(OC)c3)oc2c1
InChIInChI=1S/C18H16O7/c1-22-10-7-11(19)15-14(8-10)25-18(17(21)16(15)20)9-4-5-12(23-2)13(6-9)24-3/h4-8,19,21H,1-3H3
InChIKeyOEEUHNAUMMATJT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Euodia confusa (IPNI:772960-1) - PubMed (21275386) MeOH-CH2Cl2(1:1)extract of dried, ground plant material,synonym Euodia is captured instead of Evodia
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
quercetin 7,3',4'-trimethyl ether (CHEBI:70024) has functional parent quercetin (CHEBI:16243)
quercetin 7,3',4'-trimethyl ether (CHEBI:70024) has role metabolite (CHEBI:25212)
quercetin 7,3',4'-trimethyl ether (CHEBI:70024) has role plant metabolite (CHEBI:76924)
quercetin 7,3',4'-trimethyl ether (CHEBI:70024) is a 3'-methoxyflavones (CHEBI:138730)
quercetin 7,3',4'-trimethyl ether (CHEBI:70024) is a dihydroxyflavone (CHEBI:38686)
quercetin 7,3',4'-trimethyl ether (CHEBI:70024) is a flavonols (CHEBI:28802)
quercetin 7,3',4'-trimethyl ether (CHEBI:70024) is a trimethoxyflavone (CHEBI:27124)
IUPAC Name 
2-(3,4-dimethoxyphenyl)-3,5-dihydroxy-7-methoxy-4H-chromen-4-one
Synonyms  Source
2-(3,4-dimethoxyphenyl)-3,5-dihydroxy-7-methoxy-4H-1-Benzopyran-4-oneChemIDplus
3',4',7-trimethylquercetinChemIDplus
3,5-dihydroxy-7,3',4'-trimethoxyflavoneChEBI
Registry NumbersSources
Reaxys:51422Reaxys
CAS:6068-80-0ChemIDplus
Citations