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: |
BEM2 |
Replicates: |
2 |
Raw OD Value: r im |
0.6554±0.00608112 |
Normalized OD Score: sc h |
0.9877±0.00382263 |
Z-Score: |
0.1549±0.200144 |
p-Value: |
0.878096 |
Z-Factor: |
-23.4811 |
Fitness Defect: |
0.13 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 8|C11 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 25.60 Celcius | Date: | 2006-03-25 YYYY-MM-DD | Plate CH Control (+): | 0.0417±0.00147 | Plate DMSO Control (-): | 0.642325±0.00873 | Plate Z-Factor: | 0.9398 |
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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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