Identification

PhytoHub ID
PHUB000386
Name
Liquiritigenin
Systematic Name
Not Available
Synonyms
  • 7,4'-Dihydroxyflavanone
CAS Number
Not Available
Average Mass
256.257
Monoisotopic Mass
256.073558866
Chemical Formula
C15H12O4
IUPAC Name
7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
InChI Key
FURUXTVZLHCCNA-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2
SMILES
OC1=CC=C(C=C1)C1CC(=O)C2=C(O1)C=C(O)C=C2
Structure

Calculated Properties

Solubility (ALOGPS)
1.33e-01 g/l
LogS (ALOGPS)
-3.28
LogP (ALOGPS)
2.79
Hydrogen Acceptors
4
Hydrogen Donors
2
Rotatable Bond Count
1
Polar Surface Area
66.76
Refractivity
69.30890000000001
Polarizability
26.417120265549578
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.939949525645975
pKa (strongest acidic)
7.788865319898535
Number of Rings
3
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
Polyphenols
Class
Flavonoids
Sub-class
Flavanones

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Flavonoids
Super-class
Phenylpropanoids and polyketides
Sub-class
Flavans
Direct Parent Name
Flavanones
Alternative Parent Names
["1-hydroxy-2-unsubstituted benzenoids", "4'-hydroxyflavonoids", "7-hydroxyflavonoids", "Alkyl aryl ethers", "Aryl alkyl ketones", "Benzene and substituted derivatives", "Chromones", "Hydrocarbon derivatives", "Organic oxides", "Oxacyclic compounds"]
External Descriptor Annotations
["a flavanone"]
Substituent Names
["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "4'-hydroxyflavonoid", "7-hydroxyflavonoid", "Alkyl aryl ether", "Aromatic heteropolycyclic compound", "Aryl alkyl ketone", "Aryl ketone", "Benzenoid", "Benzopyran", "Chromane", "Chromone", "Ether", "Flavanone", "Hydrocarbon derivative", "Hydroxyflavonoid", "Ketone", "Monocyclic benzene moiety", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Phenol"]

Spectra from Online Resources

No spectra information available

Food Sources

NameGroup
LiquoriceConfectioneries and dessertsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

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