Phyto4Health

Isoliquiritin

Representations & DB's id

ChEBI: CHEBI:80839
ChEMBL: CHEMBL599763
PubChem: 5318591
IUPAC: (E)-1-(2,4-dihydroxyphenyl)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one
Standard InChI: InChI=1S/C21H22O9/c22-10-17-18(26)19(27)20(28)21(30-17)29-13-5-1-11(2-6-13)3-8-15(24)14-7-4-12(23)9-16(14)25/h1-9,17-23,25-28H,10H2/b8-3+/t17-,18-,19+,20-,21-/m1/s1
Standard InChI Key: YNWXJFQOCHMPCK-LXGDFETPSA-N
SMILES: OC[C@H]1O[C@@H](Oc2ccc(cc2)/C=C/C(=O)c2ccc(cc2O)O)[C@@H]([C@H]([C@@H]1O)O)O

Molecular propeties

AlogP: 0.17
Hydrogen bonds acceptors: 9
Hydrogen bonds donors: 6
Rotatable bonds: 6
Number of rings: 3
Molecular Weight: 418.13
Topological polar surface area: 157
Number of aromatic rings: 2
Fsp3: 0.286
Number of carbons: 21

Plant sources

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

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
IC50720 nMAldose reductaseP15121
Others50 %Protein-tyrosine phosphatase 1BP18031
IC5026920 nMDipeptidyl peptidase IVP27487