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CHEBI:2301 - 8-(1,1-dimethylallyl)kaempferide

ChEBI IDCHEBI:2301
ChEBI Name8-(1,1-dimethylallyl)kaempferide
Stars
DefinitionA 7-hydroxyflavonol that is kaempferide substituted by a 1,1-dimethylallyl group at position 8.
Last Modified3 June 2015
DownloadsMolfile
FormulaC21H20O6
Net Charge0
Average Mass368.385
Monoisotopic Mass368.12599
SMILESC=CC(C)(C)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(OC)cc3)oc12
InChIInChI=1S/C21H20O6/c1-5-21(2,3)16-14(23)10-13(22)15-17(24)18(25)19(27-20(15)16)11-6-8-12(26-4)9-7-11/h5-10,22-23,25H,1H2,2-4H3
InChIKeyZETKATWNOCCPNF-UHFFFAOYSA-N
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)
8-(1,1-dimethylallyl)kaempferide (CHEBI:2301) has functional parent kaempferide (CHEBI:6099)
8-(1,1-dimethylallyl)kaempferide (CHEBI:2301) has role plant metabolite (CHEBI:76924)
8-(1,1-dimethylallyl)kaempferide (CHEBI:2301) is a 7-hydroxyflavonol (CHEBI:52267)
8-(1,1-dimethylallyl)kaempferide (CHEBI:2301) is a monomethoxyflavone (CHEBI:25401)
8-(1,1-dimethylallyl)kaempferide (CHEBI:2301) is a trihydroxyflavone (CHEBI:27116)
IUPAC Name 
3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(2-methylbut-3-en-2-yl)-4H-1-benzopyran-4-one
Synonyms  Source
8-(1,1-DMA)kaempferideKEGG COMPOUND
3,5,7-trihydroxy-4'-methoxy-8-(1,1-dimethylprop-2-en-1-yl)flavoneChEBI
Manual XrefsDatabases
C11580KEGG COMPOUND
C00005004KNApSAcK
LMPK12110560LIPID MAPS
Registry NumbersSources
Reaxys:3569838Reaxys