Compound Information | SONAR Target prediction | Name: | 7-OXOCHOLESTERYL ACETATE | Unique Identifier: | SPE00307035 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 396.309 g/mol | X log p: | 2.529 (online calculus) | Lipinksi Failures | 0 | TPSA | 43.37 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 3 | Rotatable Bond Count: | 7 | Canonical Smiles: | CC(C)CCCC(C)C1CCC2C3C(CCC12C)C1(C)CCC(CC1=CC3=O)OC(C)=O | Class: | sterol | Source: | Cliona copiosa | Reference: | J Nat Prod 55:1588 (1992) |
Species: |
4932 |
Condition: |
TPK1 |
Replicates: |
2 |
Raw OD Value: r im |
0.6610±0.0246073 |
Normalized OD Score: sc h |
1.0012±0.00415144 |
Z-Score: |
0.0603±0.189732 |
p-Value: |
0.893468 |
Z-Factor: |
-50.2443 |
Fitness Defect: |
0.1126 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 16|F3 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 25.00 Celcius | Date: | 2008-04-25 YYYY-MM-DD | Plate CH Control (+): | 0.040325±0.00288 | Plate DMSO Control (-): | 0.6609±0.02185 | Plate Z-Factor: | 0.8948 |
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7118133 |
[(3S,8S,9R,10R,13R,14S,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-7-oxo-1,2,3,4,8,9,11,12,14,15,1 6,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate |
7118138 |
[(3S,8S,9R,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-7-oxo-1,2,3,4,8,9,11,12,14,15,1 6,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate |
7118143 |
[(3S,8S,9R,10R,13R,14S,17R)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-7-oxo-1,2,3,4,8,9,11,12,14,15,1 6,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate |
7173405 |
[(3S,8S,9R,10R,13R,14R,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-7-oxo-1,2,3,4,8,9,11,12,14,15,1 6,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate |
7173406 |
[(3S,8S,9R,10R,13R,14R,17R)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-7-oxo-1,2,3,4,8,9,11,12,14,15,1 6,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate |
internal high similarity DBLink | Rows returned: 2 | |
active | Cluster 15449 | Additional Members: 9 | Rows returned: 0 | |
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