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: |
HTZ1 |
Replicates: |
2 |
Raw OD Value: r im |
0.2207±0.136542 |
Normalized OD Score: sc h |
0.9551±0.241677 |
Z-Score: |
0.1499±1.04037 |
p-Value: |
0.466952 |
Z-Factor: |
-8.82471 |
Fitness Defect: |
0.7615 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 7|C10 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 25.70 Celcius | Date: | 2007-09-26 YYYY-MM-DD | Plate CH Control (+): | 0.040175±0.00428 | Plate DMSO Control (-): | 0.1922±0.06519 | Plate Z-Factor: | -0.8828 |
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2754253 |
[(3S,10R,13R)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahyd rocyclopenta[a]phenanthren-3-yl] acetate |
3433010 |
methyl 4-(3-acetyloxy-10,13-dimethyl-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17 -yl)pentanoate |
4145844 |
[6-(3-acetyloxy-10,13-dimethyl-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-1 7-yl)-2-methyl-heptan-3-yl] acetate |
6560376 |
[(3S,8R,9S,10S,13S,14R,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 |
6710760 |
[(3S,10R,13R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyc lopenta[a]phenanthren-3-yl] acetate |
7118127 |
[(3S,8S,9R,10R,13R,14S,17S)-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 |
internal high similarity DBLink | Rows returned: 2 | |
active | Cluster 15449 | Additional Members: 9 | Rows returned: 0 | |
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