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CHEBI:69094 - licoricone

ChEBI IDCHEBI:69094
ChEBI Namelicoricone
Stars
DefinitionA hydroxyisoflavone which is isoflavone substituted by hydroxy groups at positions 7 and 6', methoxy groups at positions 2' and 4' and a prenyl group at position 3'. It has been isolated from Glycyrrhiza uralensis.
Last Modified17 November 2016
DownloadsMolfile
FormulaC22H22O6
Net Charge0
Average Mass382.412
Monoisotopic Mass382.14164
SMILESCOc1cc(O)c(-c2coc3cc(O)ccc3c2=O)c(OC)c1CC=C(C)C
InChIInChI=1S/C22H22O6/c1-12(2)5-7-15-18(26-3)10-17(24)20(22(15)27-4)16-11-28-19-9-13(23)6-8-14(19)21(16)25/h5-6,8-11,23-24H,7H2,1-4H3
InChIKeyGGWMNTNDTRKETA-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 Roles:
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
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)
licoricone (CHEBI:69094) has functional parent isoflavone (CHEBI:18220)
licoricone (CHEBI:69094) has role antibacterial agent (CHEBI:33282)
licoricone (CHEBI:69094) has role plant metabolite (CHEBI:76924)
licoricone (CHEBI:69094) is a 4'-methoxyisoflavones (CHEBI:133959)
licoricone (CHEBI:69094) is a hydroxyisoflavone (CHEBI:38755)
IUPAC Name 
7-hydroxy-3-[6-hydroxy-2,4-dimethoxy-3-(3-methylbut-2-en-1-yl)phenyl]-4H-chromen-4-one
Manual XrefsDatabases
LMPK12050069LIPID MAPS
HMDB0029515HMDB
C17765KEGG COMPOUND
Registry NumbersSources
Reaxys:1356854Reaxys
CAS:51847-92-8KEGG COMPOUND
Citations