Phyto4Health

5,7-Dihydroxy-3-(4-Hydroxyphenyl)-6,8-Bis(3-Methylbut-2-Enyl)Chromen-4-One

Representations & DB's id
ChEBI: CHEBI:66263
ChEMBL: CHEMBL494252
PubChem: 480783
IUPAC: 5,7-dihydroxy-3-(4-hydroxyphenyl)-6,8-bis(3-methylbut-2-enyl)chromen-4-one
Standard InChI: InChI=1S/C25H26O5/c1-14(2)5-11-18-22(27)19(12-6-15(3)4)25-21(23(18)28)24(29)20(13-30-25)16-7-9-17(26)10-8-16/h5-10,13,26-28H,11-12H2,1-4H3
Standard InChI Key: UCHYSPNEUSDFQR-UHFFFAOYSA-N
SMILES: CC(=CCc1c(O)c(CC=C(C)C)c2c(c1O)c(=O)c(co2)c1ccc(cc1)O)C

Molecular propeties
AlogP: 5.59
Hydrogen bonds acceptors: 5
Hydrogen bonds donors: 3
Rotatable bonds: 5
Number of rings: 3
Molecular Weight: 406.18
Topological polar surface area: 87
Number of aromatic rings: 3
Fsp3: 0.24
Number of carbons: 25

Plant sources

Part of plant Plant name Ref.
PlantGlycyrrhiza glabra
PlantGlycyrrhiza uralensis
PlantGlycyrrhiza uralensis
PlantGlycyrrhiza uralensis
PlantGlycyrrhiza uralensis

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency39810.7 nMMicrotubule-associated protein tauP10636
Potency14125.4 nMMicrotubule-associated protein tauP10636
Potency19952.6 nMMAP kinase ERK2P28482
Potency12589.3 nMBeta-glucocerebrosidaseP04062
Potency44668.4 nMLysine-specific demethylase 4AO75164
Potency29092.9 nMNuclear factor erythroid 2-related factor 2Q16236
Potency29081 nMATPase family AAA domain-containing protein 5Q96QE3
Potency9200 nMGemininO75496
Potency29092.9 nMGemininO75496
Potency39810.7 nMAtaxin-2Q99700
Potency11220.2 nMGlucagon-like peptide 1 receptorP43220
Potency28183.8 nMGlycoprotein hormones alpha chainP01215
IC509300 nMProtein-tyrosine phosphatase 1BP18031
Ki9600 nMProtein-tyrosine phosphatase 1BP18031
Others95 %Protein-tyrosine phosphatase 1BP18031