CHEBI:69085 - allolicoisoflavone A

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ChEBI Name allolicoisoflavone A
ChEBI ID CHEBI:69085
Definition A hydroxyisoflavone that is isoflavanone substituted by hydroxy groups at positions 5, 7, 2ʼ and 4ʼ and a prenyl group at position 5. It has been isolated from Glycyrrhiza uralensis.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H18O6
Net Charge 0
Average Mass 354.35330
Monoisotopic Mass 354.11034
InChI InChI=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
InChIKey WHPDMWPIFCRONU-UHFFFAOYSA-N
SMILES CC(C)=CCc1cc(c(O)cc1O)-c1coc2cc(O)cc(O)c2c1=O
Metabolite of Species Details
Glycyrrhiza uralensis (NCBI:txid74613) Found in root (BTO:0001188). Dried and ground roots extracted with supercritical CO2 with 5% EtOH as modifier See: PubMed
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
2ʼ,4ʼ,5,7-tetrahydroxy-5ʼ-(3-methyl-2-butenyl)isoflavone ChEBI
Registry Number Type Source
5453934 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
22074222 PubMed citation Europe PMC
Last Modified
09 January 2014