kaempferol   Click here for help

GtoPdb Ligand ID: 11052

Synonyms: Robigenin
PDB Ligand
Comment: Kaempferol is a flavonol, a type of flavonoid, naturally occuring in a variety of plants. It has antibacterial activity against Gram-negative Helicobacter pylori and is reported to inhibit H. pylori HsrA (homeostatic stress regulator) [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 0
Hydrogen bond donors 4
Rotatable bonds 1
Topological polar surface area 111.13
Molecular weight 286.05
XLogP 3.42
No. Lipinski's rules broken 0
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Canonical SMILES Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O
Isomeric SMILES Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O
InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
Bioactivity Comments
The minimum inhibitory (MIC) and minimum bactericidal (MBC) concentrations for in vitro antibacterial activity against Helicobacter pylori corresponds to the same concentration of kaempferol (8-16 μg/ml) [2].
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
CYP2A13 Hs Inhibitor Inhibition 6.9 pKi - 1
pKi 6.9 (Ki 1.2x10-7 M) [1]