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CHEBI:2302 - 8-(1,1-dimethylallyl)-3-methylgalangin

ChEBI IDCHEBI:2302
ChEBI Name8-(1,1-dimethylallyl)-3-methylgalangin
Stars
DefinitionA 7-hydroxyflavonol that is 3-methylgalangin substituted by a 1,1-dimethylallyl group at position 8.
Last Modified3 June 2015
DownloadsMolfile
FormulaC21H20O5
Net Charge0
Average Mass352.386
Monoisotopic Mass352.13107
SMILESC=CC(C)(C)c1c(O)cc(O)c2c(=O)c(OC)c(-c3ccccc3)oc12
InChIInChI=1S/C21H20O5/c1-5-21(2,3)16-14(23)11-13(22)15-17(24)20(25-4)18(26-19(15)16)12-9-7-6-8-10-12/h5-11,22-23H,1H2,2-4H3
InChIKeyAFLRJCXCYQMRGE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
8-(1,1-dimethylallyl)-3-methylgalangin (CHEBI:2302) has functional parent galangin (CHEBI:5262)
8-(1,1-dimethylallyl)-3-methylgalangin (CHEBI:2302) is a 7-hydroxyflavonol (CHEBI:52267)
8-(1,1-dimethylallyl)-3-methylgalangin (CHEBI:2302) is a dihydroxyflavone (CHEBI:38686)
8-(1,1-dimethylallyl)-3-methylgalangin (CHEBI:2302) is a monomethoxyflavone (CHEBI:25401)
IUPAC Name 
5,7-dihydroxy-3-methoxy-8-(2-methylbut-3-en-2-yl)-2-phenyl-4H-1-benzopyran-4-one
Synonyms  Source
8-(1,1-Dimethylallyl)-3-methylgalanginKEGG COMPOUND
8-(1,1-DMA)-3-methylgalanginKEGG COMPOUND
8-(1,1-dimethylallyl)-3-methoxychrysinChEBI
Manual XrefsDatabases
C11579KEGG COMPOUND
Registry NumbersSources
Reaxys:10196717Reaxys