| 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: |
YPT6 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.2357±0.00141421 |
| Normalized OD Score: sc h |
0.5022±0.00746613 |
| Z-Score: |
-13.9175±0.190918 |
| p-Value: |
1.65353e-43 |
| Z-Factor: |
0.764239 |
| Fitness Defect: |
98.5082 |
| Bioactivity Statement: |
Toxic |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 8|C11 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.30 Celcius | | Date: | 2006-02-22 YYYY-MM-DD | | Plate CH Control (+): | 0.0422±0.00066 | | Plate DMSO Control (-): | 0.33099999999999996±0.01431 | | Plate Z-Factor: | 0.8468 |
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| 5316285 |
(10S)-17-[7-hydroxy-6-(hydroxymethyl)heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetra
decahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol |
| 5316286 |
(5S,10S)-17-[7-hydroxy-6-(hydroxymethyl)heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-te
tradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol |
| 5320893 |
(3R,5S,7R,8R,10S,12S,13R,17R)-17-[(2R,5R)-5,7-dihydroxyheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12
,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol |
| 6431581 |
(1R,3R,4R)-1-methyl-4-propan-2-yl-cyclohexane-1,3-diol |
| 6431583 |
(1R,3R,4S)-4-methyl-1-propan-2-yl-cyclohexane-1,3-diol |
| 6431584 |
(1R,3R,4R)-4-methyl-1-propan-2-yl-cyclohexane-1,3-diol |
| internal high similarity DBLink | Rows returned: 6 | |
| active | Cluster 17506 | Additional Members: 20 | Rows returned: 3 | |
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