Li, F.; Wu, H.; Li, L.; Li, X.; Zhao, J.; Peijnenburg, W. J. G. M. Docking and QSAR study on the binding interactions between polycyclic aromatic hydrocarbons and estrogen receptor. Ecotoxicology and Environmental Safety 2012, 80, 273 - 279.
Compound
| ID: | 3-OHCh | |
|---|---|---|
| Name: | 3-hydroxychrysene | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C18H12O/c19-14-8-5-13-7-9-16-15-4-2-1-3-12(15)6-10-17(16)18(13)11-14/h1-11,19H |
Properties
logRBA: Relative binding affinity to hERa i
| Value | Source or prediction |
|---|---|
| -0.86 |
experimental value |
| -1.06 |
PLS: Model for polycyclic aromatic hydrocarbons (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6038320 | US EPA CompTox Dashboard |