| Compound Information | SONAR Target prediction | | Name: | CHOLESTAN-3beta,5alpha,6beta-TRIOL | | Unique Identifier: | SPE00270090 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 372.287 g/mol | | X log p: | -0.645 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 0 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 3 | | Rotatable Bond Count: | 5 | | Canonical Smiles: | CC(C)CCCC(C)C1CCC2C3C(O)CC4(O)CC(O)CCC4(C)C3CCC12C | | Class: | sterol | | Source: | Pteroeides esperi | | Reference: | Indian J Chem Soc B 14: 802 (1976) |
| Species: |
4932 |
| Condition: |
DRS2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5519±0.00961665 |
| Normalized OD Score: sc h |
0.8429±0.00995289 |
| Z-Score: |
-6.7823±0.413384 |
| p-Value: |
0.0000000000436568 |
| Z-Factor: |
0.385783 |
| Fitness Defect: |
23.8547 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 13|E7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.30 Celcius | | Date: | 2008-01-11 YYYY-MM-DD | | Plate CH Control (+): | 0.0419±0.00088 | | Plate DMSO Control (-): | 0.650525±0.01430 | | Plate Z-Factor: | 0.9218 |
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| 346449 |
4-cyclohexylcyclohexane-1,3-diol |
| 380800 |
(3S)-2,2,5,5-tetramethylcyclohexane-1,3-diol |
| 429306 |
5-methyladamantane-1,3-diol |
| 495694 |
2,2,5,5-tetramethylcyclohexane-1,3-diol |
| 520126 |
2,2,4,4,6,6-hexamethylcyclohexane-1,3,5-triol |
| 522957 |
2,6-bis(hydroxymethyl)-4-methyl-cyclohexan-1-ol |
| internal high similarity DBLink | Rows returned: 6 | |
| active | Cluster 17506 | Additional Members: 20 | Rows returned: 3 | |
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