Garcia-Sosa, A. T.; Maran, U. Using combined docking, chemical fingerprints, and Bayesian classifiers for the androgen receptor binding activity of the CoMPARA data. Toxicological Sciences 2020.
Compound
| ID: | 207801-27-2 | |
|---|---|---|
| Name: | Yohimbic acid monohydrate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 207801-27-2 | |
| InChi Code: | InChI=1S/C20H24N2O3/c23-17-6-5-11-10-22-8-7-13-12-3-1-2-4-15(12)21-19(13)16(22)9-14(11)18(17)20(24)25/h1-4,11,14,16-18,21,23H,5-10H2,(H,24,25) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.039899383 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |