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CHEBI:3684 - chrysin 5,7-dimethyl ether

ChEBI IDCHEBI:3684
ChEBI Namechrysin 5,7-dimethyl ether
Stars
DefinitionA dimethoxyflavone that is the 5,7-dimethyl ether derivative of chrysin.
Last Modified4 June 2015
DownloadsMolfile
FormulaC17H14O4
Net Charge0
Average Mass282.295
Monoisotopic Mass282.08921
SMILESCOc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1
InChIInChI=1S/C17H14O4/c1-19-12-8-15(20-2)17-13(18)10-14(21-16(17)9-12)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyJRFZSUMZAUHNSL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Boesenbergia rotunda (ncbitaxon:97729) rhizome (BTO:0001181) DOI (10.1016/0031-9422(83)83075-1)
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)
chrysin 5,7-dimethyl ether (CHEBI:3684) has functional parent chrysin (CHEBI:75095)
chrysin 5,7-dimethyl ether (CHEBI:3684) has role plant metabolite (CHEBI:76924)
chrysin 5,7-dimethyl ether (CHEBI:3684) is a dimethoxyflavone (CHEBI:23798)
IUPAC Name 
5,7-dimethoxy-2-phenyl-4H-1-benzopyran-4-one
Synonyms  Source
5,7-DimethoxyflavoneKEGG COMPOUND
chrysin dimethyl etherChemIDplus
Manual XrefsDatabases
C10029KEGG COMPOUND
C00001028KNApSAcK
HMDB0036620HMDB
LMPK12110188LIPID MAPS
Registry NumbersSources
Reaxys:285983Reaxys
CAS:21392-57-4KEGG COMPOUND
CAS:21392-57-4ChemIDplus