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CHEBI:69085 - allolicoisoflavone A

ChEBI IDCHEBI:69085
ChEBI Nameallolicoisoflavone A
Stars
DefinitionA hydroxyisoflavone that is isoflavanone substituted by hydroxy groups at positions 5, 7, 2' and 4' and a prenyl group at position 5. It has been isolated from Glycyrrhiza uralensis.
Last Modified9 January 2014
DownloadsMolfile
FormulaC20H18O6
Net Charge0
Average Mass354.358
Monoisotopic Mass354.11034
SMILESCC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)c(O)cc1O
InChIInChI=1S/C20H18O6/c1-10(2)3-4-11-5-13(16(23)8-15(11)22)14-9-26-18-7-12(21)6-17(24)19(18)20(14)25/h3,5-9,21-24H,4H2,1-2H3
InChIKeyWHPDMWPIFCRONU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Glycyrrhiza uralensis (ncbitaxon:74613) root (BTO:0001188) PubMed (22074222) Dried and ground roots extracted with supercritical CO2 with 5% EtOH as modifier
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)
allolicoisoflavone A (CHEBI:69085) has role plant metabolite (CHEBI:76924)
allolicoisoflavone A (CHEBI:69085) is a hydroxyisoflavone (CHEBI:38755)
IUPAC Name 
3-[2,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-5,7-dihydroxy-4H-chromen-4-one
Synonym  Source
2',4',5,7-tetrahydroxy-5'-(3-methyl-2-butenyl)isoflavoneChEBI
Registry NumbersSources
Reaxys:5453934Reaxys
Citations