| Compound Information | SONAR Target prediction | | Name: | EPIANDROSTERONE | | Unique Identifier: | SPE00310009 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 261.21 g/mol | | X log p: | -0.512 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 17.07 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 2 | | Rotatable Bond Count: | 0 | | Canonical Smiles: | CC12CCC(O)CC1CCC1C2CCC2(C)C1CCC2=O | | Class: | sterol | | Source: | in normal human urine | | Reference: | J Am Chem Soc 75: 2275 (9153) | | Generic_name: | AETIOCHOLANOLONE | | Chemical_iupac_name: | AETIOCHOLANOLONE | | Drug_type: | Experimental | | Drugbank_id: | EXPT00443 | | Drug_category: | Alcohol Sulfotransferase inhibitor | | Organisms_affected: | -1 |
| Species: |
4932 |
| Condition: |
RIC1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.3432±0.019304 |
| Normalized OD Score: sc h |
0.5535±0.0188671 |
| Z-Score: |
-9.7633±1.05795 |
| p-Value: |
9.82826e-20 |
| Z-Factor: |
0.650506 |
| Fitness Defect: |
43.7664 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 7|B7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.60 Celcius | | Date: | 2006-03-18 YYYY-MM-DD | | Plate CH Control (+): | 0.0388±0.00133 | | Plate DMSO Control (-): | 0.59085±0.01891 | | Plate Z-Factor: | 0.8689 |
|  png
ps
pdf |
| 352070 |
17-hydroxy-1,5,13-trimethyl-1,2,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-
one |
| 354003 |
(4aS,6aR,6aR,8aR,9R,14bR)-14a-(hydroxymethyl)-2,2,4a,6a,6a,8a,9-heptamethyl-1,4,5,6,6b,7,8,9,11,12,12a,1
3,14,14b-tetradecahydropicene-3,10-dione |
| 354617 |
n/a |
| 385902 |
2-(12-hydroxydodecyl)-2,12,12-trimethyl-cyclododecan-1-one |
| 385904 |
2-(11-hydroxyundecyl)-2,8,8-trimethyl-cyclooctan-1-one |
| 439617 |
3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one |
| internal high similarity DBLink | Rows returned: 5 | |
| active | Cluster 11774 | Additional Members: 14 | Rows returned: 5 | |
|
