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CHEBI:3719 - cirsiliol

Default Structure
ChEBI IDCHEBI:3719
ChEBI Namecirsiliol
Stars
DefinitionA dimethoxyflavone that is flavone substituted by methoxy groups at positions 6 and 7 and hydroxy groups at positions 5, 3' and 4' respectively.
Last Modified21 July 2022
DownloadsMolfile
FormulaC17H14O7
Net Charge0
Average Mass330.292
Monoisotopic Mass330.07395
SMILESCOc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1OC
InChIInChI=1S/C17H14O7/c1-22-14-7-13-15(16(21)17(14)23-2)11(20)6-12(24-13)8-3-4-9(18)10(19)5-8/h3-7,18-19,21H,1-2H3
InChIKeyIMEYGBIXGJLUIS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Artemisia chinensis (ncbitaxon:99046) leaf (BTO:0000713) PubMed (24689280)
Phyla nodiflora (ncbitaxon:222877) aerial part (BTO:0001658) PubMed (25140335)
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)
cirsiliol (CHEBI:3719) has functional parent flavone (CHEBI:42491)
cirsiliol (CHEBI:3719) has role plant metabolite (CHEBI:76924)
cirsiliol (CHEBI:3719) is a dimethoxyflavone (CHEBI:23798)
cirsiliol (CHEBI:3719) is a trihydroxyflavone (CHEBI:27116)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-4H-1-benzopyran-4-one
Synonyms  Source
3',4',5-trihydroxy-6,7-dimethoxyflavoneChemIDplus
6,7-dimethoxy-5,3',4'-trihydroxyflavoneChemIDplus
UniProt Name  Source
cirsiliolUniProt
Manual XrefsDatabases
C00001033KNApSAcK
C10033KEGG COMPOUND
LMPK12111227LIPID MAPS
Registry NumbersSources
Reaxys:1354524Reaxys
CAS:34334-69-5KEGG COMPOUND
CAS:34334-69-5ChemIDplus
Citations