Phyto4Health

Liquiritin

Representations & DB's id
ChEBI: CHEBI:80845
ChEMBL: CHEMBL511995
PubChem: 503737
IUPAC: (2S)-7-hydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one
Standard InChI: InChI=1S/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-4-1-10(2-5-12)15-8-14(24)13-6-3-11(23)7-16(13)29-15/h1-7,15,17-23,25-27H,8-9H2/t15-,17+,18+,19-,20+,21+/m0/s1
Standard InChI Key: DEMKZLAVQYISIA-ZRWXNEIDSA-N
SMILES: OC[C@H]1O[C@@H](Oc2ccc(cc2)[C@@H]2CC(=O)c3c(O2)cc(cc3)O)[C@@H]([C@H]([C@@H]1O)O)O

Molecular propeties
AlogP: 0.28
Hydrogen bonds acceptors: 9
Hydrogen bonds donors: 5
Rotatable bonds: 4
Number of rings: 4
Molecular Weight: 418.13
Topological polar surface area: 146
Number of aromatic rings: 2
Fsp3: 0.381
Number of carbons: 21

Plant sources

Part of plant Plant name Ref.
RhizomeGlycyrrhiza glabra
RootGlycyrrhiza glabra
RhizomeGlycyrrhiza uralensis
RootGlycyrrhiza uralensis
RhizomeGlycyrrhiza uralensis
RootGlycyrrhiza uralensis
RhizomeGlycyrrhiza uralensis
RootGlycyrrhiza uralensis

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency6513.1 nMBeta-2 adrenergic receptorP07550
Potency70794.6 nMCellular tumor antigen p53P04637
Potency707.9 nMBromodomain adjacent to zinc finger domain protein 2BQ9UIF8
Potency25929 nMATPase family AAA domain-containing protein 5Q96QE3
Potency6513.1 nMGemininO75496
Others50 %Protein-tyrosine phosphatase 1BP18031