| Common Name |
Glyzarin
| Description |
Glyzarin is found in herbs and spices. Glyzarin is a constituent of Glycyrrhiza glabra (licorice).Glyzarin 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 |
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Structure for HMDB29534 (Glyzarin)
| Synonyms |
| Value |
Source |
8-Acetyl-7-hydroxy-2-methyl-3-phenyl-4H-1-benzopyran-4-one, 9ciHMDB
8-Acetyl-7-hydroxy-2-methylisoflavoneHMDB
| Chemical Formlia |
C18H14O4
| Average Molecliar Weight |
294.3014
| Monoisotopic Molecliar Weight |
294.089208936
| IUPAC Name |
8-acetyl-7-hydroxy-2-methyl-3-phenyl-4H-chromen-4-one
| Traditional Name |
glyzarin
| CAS Registry Number |
62820-28-4
| SMILES |
CC(=O)C1=C(O)C=CC2=C1OC(C)=C(C2=O)C1=CC=CC=C1
| InChI Identifier |
InChI=1S/C18H14O4/c1-10(19)15-14(20)9-8-13-17(21)16(11(2)22-18(13)15)12-6-4-3-5-7-12/h3-9,20H,1-2H3
| InChI Key |
KTCOGEGNUCOCON-UHFFFAOYSA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of chemical entities known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom.
| Kingdom |
Chemical entities
| Super Class |
Organic compounds
| Class |
Phenylpropanoids and polyketides
| Sub Class |
Isoflavonoids
| Direct Parent |
Isoflavones
| Alternative Parents |
Hydroxyisoflavonoids
Chromones
Acetophenones
Aryl alkyl ketones
Pyranones and derivatives
1-hydroxy-2-unsubstituted benzenoids
Vinylogous acids
Heteroaromatic compounds
Oxacyclic compounds
Organic oxides
Hydrocarbon derivatives
| Substituents |
Hydroxyisoflavonoid
Isoflavone
Chromone
Benzopyran
1-benzopyran
Acetophenone
Aryl ketone
Aryl alkyl ketone
1-hydroxy-2-unsubstituted benzenoid
Pyranone
Monocyclic benzene moiety
Pyran
Benzenoid
Heteroaromatic compound
Vinylogous acid
Ketone
Oxacycle
Organoheterocyclic compound
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Aromatic heteropolycyclic compound
| Molecliar Framework |
Aromatic heteropolycyclic compounds
| External Descriptors |
Isoflavonoids (LMPK12050004 )
| Ontology |
| Status |
Expected but not Quantified
| Origin |
Endogenous
Food
| Biofunction |
Not Available
| Application |
Nutrient
| Cellliar locations |
Membrane
| Physical Properties |
| State |
Not Available
| Experimental Properties |
| Property |
Value |
Reference |
Melting Point207 – 208 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility0.028 mg/mLALOGPS
logP3.58ALOGPS
logP3.44ChemAxon
logS-4ALOGPS
pKa (Strongest Acidic)7.26ChemAxon
pKa (Strongest Basic)-5.4ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area63.6 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity83.94 m3·mol-1ChemAxon
Polarizability30.79 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 |
Membrane
| 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 |
FDB000675
| KNApSAcK ID |
C00009396
| Chemspider ID |
24842678
| KEGG Compound ID |
Not Available
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Not Available
| NuGOwiki Link |
HMDB29534
| Metagene Link |
HMDB29534
| METLIN ID |
Not Available
| PubChem Compound |
44257206
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: CP21R7
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.. .
|
PMID: 25849762
