EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:69749 - isowighteone

ChEBI IDCHEBI:69749
ChEBI Nameisowighteone
Stars
DefinitionA member of the class of 7-hydroxyisoflavones that is isoflavone substituted by hydroxy groups at positions 5, 7 and 4' and a prenyl group at position 3'. It has been isolated from Ficus mucuso.
Last Modified16 January 2014
DownloadsMolfile
FormulaC20H18O5
Net Charge0
Average Mass338.359
Monoisotopic Mass338.11542
SMILESCC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)ccc1O
InChIInChI=1S/C20H18O5/c1-11(2)3-4-13-7-12(5-6-16(13)22)15-10-25-18-9-14(21)8-17(23)19(18)20(15)24/h3,5-10,21-23H,4H2,1-2H3
InChIKeySWDSVBNAMCDHTF-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)
isowighteone (CHEBI:69749) has functional parent isoflavone (CHEBI:18220)
isowighteone (CHEBI:69749) has role plant metabolite (CHEBI:76924)
isowighteone (CHEBI:69749) is a 7-hydroxyisoflavones (CHEBI:55465)
IUPAC Name 
5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-4H-chromen-4-one
Synonyms  Source
3'-prenyl-5,7,4'-trihydroxyisoflavoneChEBI
3'-isoprenylgenisteinChEBI
5,7,4'-trihydroxy-3'-prenylisoflavoneLIPID MAPS
3'-(γ,γ-dimethylallyl)genisteinHMDB
Manual XrefsDatabases
LMPK12050192LIPID MAPS
HMDB0037920HMDB
Registry NumbersSources
Reaxys:1660491Reaxys
Citations