tectorigenin   Click here for help

GtoPdb Ligand ID: 9738

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
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
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
SMILES / InChI / InChIKey
Click here for help
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
InChI Key OBBCRPUNCUPUOS-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one
Database Links Click here for help
GtoPdb PubChem SID 354702213
Search Google for chemical match using the InChIKey OBBCRPUNCUPUOS-UHFFFAOYSA-N
Search Google for chemicals with the same backbone OBBCRPUNCUPUOS
Search UniChem for chemical match using the InChIKey OBBCRPUNCUPUOS-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone OBBCRPUNCUPUOS