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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2754255 |
(3S,4S,5R,10R,13R,17R)-4,10,13-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 |
2825534 |
(5R)-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 |
2840159 |
4-pentylbicyclo[2.2.2]octane-1,8-diol |
3552585 |
1,3,3-trimethylnorbornane-2,6-diol |
3559737 |
4-(2-hydroxypropan-2-yl)cyclohexane-1,3-diol |
3652070 |
5-ethyladamantane-1,3-diol |
internal high similarity DBLink | Rows returned: 6 | |
active | Cluster 17506 | Additional Members: 20 | Rows returned: 3 | |
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