fisetin   Click here for help

GtoPdb Ligand ID: 5182

PDB Ligand
Compound class: Natural product
Comment: Fisetin is a plant flavonoid. It is used as an ingredient in dietary supplements. It has been investigated for potential anti-inflammatory and senolytic-like actions [1]. It is a more potent senolytic than quercetin.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 4
Rotatable bonds 1
Topological polar surface area 111.13
Molecular weight 286.05
XLogP 3.85
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Oc1ccc2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O
Isomeric SMILES Oc1ccc2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O
InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
InChI Key XHEFDIBZLJXQHF-UHFFFAOYSA-N