| Compound Information | SONAR Target prediction | | Name: | 5alpha-CHOLESTAN-3beta-OL-6-ONE | | Unique Identifier: | SPE00270083 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 357.296 g/mol | | X log p: | 0.465 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 17.07 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 2 | | Rotatable Bond Count: | 5 | | Canonical Smiles: | CC(C)CCCC(C)C1CCC2C3CC(=O)C4CC(O)CCC4(C)C3CCC12C | | Class: | sterol | | Source: | Mandevilla pentlandiana |
| Species: |
4932 |
| Condition: |
YPT6 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.3836±0.0142836 |
| Normalized OD Score: sc h |
0.7598±0.010239 |
| Z-Score: |
-6.7194±0.295333 |
| p-Value: |
0.0000000000395524 |
| Z-Factor: |
0.48277 |
| Fitness Defect: |
23.9534 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 13|E8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.60 Celcius | | Date: | 2008-06-05 YYYY-MM-DD | | Plate CH Control (+): | 0.0407±0.00049 | | Plate DMSO Control (-): | 0.512175±0.01640 | | Plate Z-Factor: | 0.8807 |
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ps
pdf |
| 6453554 |
(5R,6R,8S,9S,10R,13R,14S,17S)-17-acetyl-6-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetra
decahydrocyclopenta[a]phenanthren-3-one |
| 6543607 |
1-[(1R,2S,4aS,8aR)-2-hydroxy-2,5,5,8a-tetramethyl-decalin-1-yl]propan-2-one |
| 6543697 |
(4aR,8S,8aS)-8-hydroxy-4a,8-dimethyl-decalin-2-one |
| 6543735 |
(3R,5S,8S,9R,10S,13S,14S,17R)-3-hydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,1
6,17-tetradecahydrocyclopenta[a]phenanthren-6-one |
| 6552875 |
(3R,5S,8R,9R,10R,13S,14S,17R)-3-hydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,14,15,16
,17-tetradecahydrocyclopenta[a]phenanthren-12-one |
| 6565929 |
(2R,4S,5S)-4-hydroxy-2,5-ditert-butyl-cyclohexan-1-one |
| internal high similarity DBLink | Rows returned: 3 | |
| active | Cluster 17506 | Additional Members: 20 | Rows returned: 3 | |
|
