tectorigenin   Click here for help

GtoPdb Ligand ID: 9738

PDB Ligand
Compound class: Synthetic organic
Comment: Tectorigenin is a plant derived isoflavone that has been shown to protect mammalian cells against oxidative, hydrogen peroxide-induced damage, by activating catalase [1].
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 100.13
Molecular weight 300.06
XLogP 2.98
No. Lipinski's rules broken 0
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Canonical SMILES COc1c(O)cc2c(c1O)c(=O)c(co2)c1ccc(cc1)O
Isomeric SMILES COc1c(O)cc2c(c1O)c(=O)c(co2)c1ccc(cc1)O
InChI InChI=1S/C16H12O6/c1-21-16-11(18)6-12-13(15(16)20)14(19)10(7-22-12)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3
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Molecular structure representations generated using Open Babel