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CHEBI:1579 - 3-methoxyapigenin

Default Structure
ChEBI IDCHEBI:1579
ChEBI Name3-methoxyapigenin
Stars
DefinitionA trihydroxyflavone that is apigenin substituted by a methoxy group at position 3.
Last Modified1 June 2015
DownloadsMolfile
FormulaC16H12O6
Net Charge0
Average Mass300.266
Monoisotopic Mass300.06339
SMILESCOc1c(-c2ccc(O)cc2)oc2cc(O)cc(O)c2c1=O
InChIInChI=1S/C16H12O6/c1-21-16-14(20)13-11(19)6-10(18)7-12(13)22-15(16)8-2-4-9(17)5-3-8/h2-7,17-19H,1H3
InChIKeyVJJZJBUCDWKPLC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Caragana leucophloea (ncbitaxon:390497) aerial part (BTO:0001658) PubMed (25675255)
Roles Classification
Biological Role:
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)
3-methoxyapigenin (CHEBI:1579) has functional parent apigenin (CHEBI:18388)
3-methoxyapigenin (CHEBI:1579) has role plant metabolite (CHEBI:76924)
3-methoxyapigenin (CHEBI:1579) is a monomethoxyflavone (CHEBI:25401)
3-methoxyapigenin (CHEBI:1579) is a trihydroxyflavone (CHEBI:27116)
IUPAC Name 
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-4H-1-benzopyran-4-one
Synonyms  Source
3-O-MethylkaempferolKEGG COMPOUND
5,7,4'-trihydroxy-3-methoxyflavoneLIPID MAPS
IsokaempferideLIPID MAPS
kaempferol-3-O-methyl etherChEBI
Manual XrefsDatabases
C00001062KNApSAcK
C05902KEGG COMPOUND
LMPK12112688LIPID MAPS
Registry NumbersSources
Reaxys:305374Reaxys
CAS:1592-70-7ChemIDplus
Citations