| 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: |
RGP1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.2163±0.0106066 |
| Normalized OD Score: sc h |
0.4926±0.0200772 |
| Z-Score: |
-13.2386±0.339775 |
| p-Value: |
6.26078e-39 |
| Z-Factor: |
0.69201 |
| Fitness Defect: |
87.9665 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 13|E7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.30 Celcius | | Date: | 2008-06-26 YYYY-MM-DD | | Plate CH Control (+): | 0.03995±0.00204 | | Plate DMSO Control (-): | 0.4414±0.01397 | | Plate Z-Factor: | 0.8920 |
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ps
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| 657538 |
n/a |
| 820093 |
adamantane-1,3,5,7-tetrol |
| 2054481 |
(8S)-4-pentylbicyclo[2.2.2]octane-1,8-diol |
| 2054482 |
(8R)-4-pentylbicyclo[2.2.2]octane-1,8-diol |
| 2064096 |
(1R,2S,4R,5S)-adamantane-2,4-diol |
| 2754254 |
(3S,5S,6R,10R,13R,17R)-6,10,13-trimethyl-17-[(2S)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17
-tetradecahydrocyclopenta[a]phenanthrene-3,5-diol |
| internal high similarity DBLink | Rows returned: 6 | |
| active | Cluster 17506 | Additional Members: 20 | Rows returned: 3 | |
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