Licoricone Description
Licoricone is found in herbs and spices. Licoricone is a constituent of the root of Glycyrrhiza uralensis (Chinese licorice).Licoricone belongs to the family of Isoflavones. These are polycyclic compounds containing an isoflavan skeleton which bears a ketone group at the C4 carbon atom. Structure
Structure for HMDB29515 (Licoricone)
Synonyms
Value Source 2',7-Dihydroxy-4',6'-dimethoxy-3'-prenylisoflavoneHMDB
Chemical Formlia
C22H22O6 Average Molecliar Weight
382.4065 Monoisotopic Molecliar Weight
382.141638436 IUPAC Name
7-hydroxy-3-[6-hydroxy-2,4-dimethoxy-3-(3-methylbut-2-en-1-yl)phenyl]-4H-chromen-4-one Traditional Name
licoricone CAS Registry Number
51847-92-8 SMILES
InChI Identifier
InChI Key
GGWMNTNDTRKETA-UHFFFAOYSA-N Chemical Taxonomy Description
This compound belongs to the class of organic compounds known as 4-o-methylisoflavones. These are isoflavones with methoxy groups attached to the C4 atom of the isoflavone backbone. Kingdom
Organic compounds Super Class
Phenylpropanoids and polyketides Class
Isoflavonoids Sub Class
O-methylated isoflavonoids Direct Parent
4-O-methylisoflavones Alternative Parents
Substituents
Molecliar Framework
Aromatic heteropolycyclic compounds External Descriptors
Ontology Status
Expected but not Quantified Origin
Biofunction
Not Available Application
Cellliar locations
Physical Properties State
Not Available Experimental Properties
Property Value Reference Melting Point250 – 251 °CNot Available Boiling PointNot AvailableNot Available Water SolubilityNot AvailableNot Available LogPNot AvailableNot Available
Predicted Properties
Property Value Source Water Solubility0.011 mg/mLALOGPS logP3.85ALOGPS logP4.14ChemAxon logS-4.5ALOGPS pKa (Strongest Acidic)6.46ChemAxon pKa (Strongest Basic)-4.5ChemAxon Physiological Charge-1ChemAxon Hydrogen Acceptor Count6ChemAxon Hydrogen Donor Count2ChemAxon Polar Surface Area85.22 Å2ChemAxon Rotatable Bond Count4ChemAxon Refractivity106.87 m3·mol-1ChemAxon Polarizability40.67 Å3ChemAxon Number of Rings3ChemAxon Bioavailability1ChemAxon Rlie of FiveYesChemAxon Ghose FilterYesChemAxon Vebers RlieYesChemAxon MDDR-like RlieYesChemAxon
Spectra Spectra
Spectrum Type Description Splash Key Predicted LC-MS/MS
Predicted LC-MS/MS Spectrum – 10V, PositiveNot Available Predicted LC-MS/MS
Predicted LC-MS/MS Spectrum – 20V, PositiveNot Available Predicted LC-MS/MS
Predicted LC-MS/MS Spectrum – 40V, PositiveNot Available Predicted LC-MS/MS
Predicted LC-MS/MS Spectrum – 10V, NegativeNot Available Predicted LC-MS/MS
Predicted LC-MS/MS Spectrum – 20V, NegativeNot Available Predicted LC-MS/MS
Predicted LC-MS/MS Spectrum – 40V, NegativeNot Available
Biological Properties Cellliar Locations
Biofluid Locations
Not Available Tissue Location
Not Available Pathways
Not Available Normal Concentrations Not Available Abnormal Concentrations
Not Available Associated Disorders and Diseases Disease References
None Associated OMIM IDs
None External Links DrugBank ID
Not Available DrugBank Metabolite ID
Not Available Phenol Explorer Compound ID
Not Available Phenol Explorer Metabolite ID
Not Available FoodDB ID
FDB000651 KNApSAcK ID
C00009443 Chemspider ID
4477428 KEGG Compound ID
C17765 BioCyc ID
Not Available BiGG ID
Not Available Wikipedia Link
Not Available NuGOwiki Link
HMDB29515 Metagene Link
HMDB29515 METLIN ID
Not Available PubChem Compound
5319013 PDB ID
Not Available ChEBI ID
Not Available
References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Not Available General References- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .