Phyto4Health

Isokaempferide

Representations & DB's id
ChEBI: CHEBI:1579
ChEMBL: CHEMBL165064
PubChem: 5280862
IUPAC: 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one
Standard InChI: InChI=1S/C16H12O6/c1-21-16-14(20)13-11(19)6-10(18)7-12(13)22-15(16)8-2-4-9(17)5-3-8/h2-7,17-19H,1H3
Standard InChI Key: VJJZJBUCDWKPLC-UHFFFAOYSA-N
SMILES: COc1c(oc2c(c1=O)c(O)cc(c2)O)c1ccc(cc1)O

Molecular propeties
AlogP: 2.59
Hydrogen bonds acceptors: 6
Hydrogen bonds donors: 3
Rotatable bonds: 2
Number of rings: 3
Molecular Weight: 300.06
Topological polar surface area: 96.2
Number of aromatic rings: 3
Fsp3: 0.062
Number of carbons: 16

Plant sources

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

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
IC504630 nMCytochrome P450 2D6P10635
IC5036200 nMCytochrome P450 3A4P08684
Potency14125.4 nMATP-dependent DNA helicase Q1P46063
Potency39810.7 nMLysine-specific demethylase 4D-likeB2RXH2
Potency2818.4 nMDNA-(apurinic or apyrimidinic site) lyaseP27695
IC50108803 nMApoptosis regulator Bcl-XQ07817
IC505405 nMInduced myeloid leukemia cell differentiation protein Mcl-1Q07820
Potency3162.3 nMDNA polymerase betaP06746
Potency22387.2 nMLysine-specific demethylase 4AO75164
Potency6309.6 nMHistone-lysine N-methyltransferase, H3 lysine-9 specific 3Q96KQ7
Potency19952.6 nMBromodomain adjacent to zinc finger domain protein 2BQ9UIF8
Potency819.6 nMATPase family AAA domain-containing protein 5Q96QE3
AC504271 nMDual specificity tyrosine-phosphorylation-regulated kinase 1AQ63470
Potency25118.9 nMWerner syndrome ATP-dependent helicaseQ14191
Potency35481.3 nMNuclear factor erythroid 2-related factor 2Q16236