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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 8-(1,1-dimethylallyl)kaempferide
ChEBI ID CHEBI:2301
Definition A 7-hydroxyflavonol that is kaempferide substituted by a 1,1-dimethylallyl group at position 8.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H20O6
Net Charge 0
Average Mass 368.37990
Monoisotopic Mass 368.12599
InChI InChI=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
InChIKey ZETKATWNOCCPNF-UHFFFAOYSA-N
SMILES COc1ccc(cc1)-c1oc2c(c(O)cc(O)c2c(=O)c1O)C(C)(C)C=C
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing 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 Sources
3,5,7-trihydroxy-4'-methoxy-8-(1,1-dimethylprop-2-en-1-yl)flavone ChEBI
8-(1,1-DMA)kaempferide KEGG COMPOUND
Manual Xrefs Databases
C00005004 KNApSAcK
C11580 KEGG COMPOUND
LMPK12110560 LIPID MAPS
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Registry Number Type Source
3569838 Reaxys Registry Number Reaxys
Last Modified
03 June 2015