| 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: |
BIK1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6884±0.0135057 |
| Normalized OD Score: sc h |
1.0433±0.00908694 |
| Z-Score: |
1.8978±0.382929 |
| p-Value: |
0.0669172 |
| Z-Factor: |
-2.98828 |
| Fitness Defect: |
2.7043 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 8|C11 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.90 Celcius | | Date: | 2007-11-08 YYYY-MM-DD | | Plate CH Control (+): | 0.04202500000000001±0.00149 | | Plate DMSO Control (-): | 0.650925±0.04360 | | Plate Z-Factor: | 0.7734 |
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| 18773 |
(3S)-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[
a]phenanthrene-3,5-diol |
| 79442 |
2,2,6,6-tetrakis(hydroxymethyl)cyclohexan-1-ol |
| 147106 |
(3R,5S,7R,8S,9S,10R,13R,14S,17R)-17-[(2R)-7-hydroxy-6-(hydroxymethyl)heptan-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-diol |
| 147107 |
(3R,5S,7R,8S,9S,10R,13R,14S,17S)-17-[(2R)-5,7-dihydroxy-6-methyl-heptan-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-diol |
| 160665 |
(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-7-hydroxy-6-(hydroxymethyl)heptan-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 |
| 165531 |
(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R,5R)-5,7-dihydroxy-6-(hydroxymethyl)heptan-2-yl]-10,13-dimet
hyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol |
| internal high similarity DBLink | Rows returned: 6 | |
| active | Cluster 17506 | Additional Members: 20 | Rows returned: 3 | |
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