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CHEBI:69748 - isoderrone

ChEBI IDCHEBI:69748
ChEBI Nameisoderrone
Stars
DefinitionA hydroxyisoflavone that is isoflavone substituted by hydroxy groups at positions 5 and 7 and a 6,6-dimethyl-3,6-dihydro-2H-pyran across positions 3' and 4' respectively. It has been isolated from Ficus mucuso.
Last Modified24 June 2015
DownloadsMolfile
FormulaC20H16O5
Net Charge0
Average Mass336.343
Monoisotopic Mass336.09977
SMILESCC1(C)C=Cc2cc(-c3coc4cc(O)cc(O)c4c3=O)ccc2O1
InChIInChI=1S/C20H16O5/c1-20(2)6-5-12-7-11(3-4-16(12)25-20)14-10-24-17-9-13(21)8-15(22)18(17)19(14)23/h3-10,21-22H,1-2H3
InChIKeyWTNXJYOYGPGIJK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ficus mucuso (ncbitaxon:309328) fruit (BTO:0000486) PubMed (21619045) Methanolic extract of air-dried and powdered figs(fruits)
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)
isoderrone (CHEBI:69748) has functional parent isoflavone (CHEBI:18220)
isoderrone (CHEBI:69748) has role plant metabolite (CHEBI:76924)
isoderrone (CHEBI:69748) is a hydroxyisoflavone (CHEBI:38755)
IUPAC Name 
5,7-dihydroxy-2',2'-dimethyl-2'H,4H-[3,6'-bi-1-benzopyran]-4-one
Synonyms  Source
3-(2,2-dimethylchromen-7-yl)-5,7-dihydroxychromen-4-oneChEBI
5,7-dihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']isoflavoneLIPID MAPS
Manual XrefsDatabases
LMPK12050207LIPID MAPS
Registry NumbersSources
Reaxys:4331090Reaxys
Citations