| 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: |
PDE1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7794±0.0222739 |
| Normalized OD Score: sc h |
0.9865±0.0216195 |
| Z-Score: |
-0.4729±0.76228 |
| p-Value: |
0.62943 |
| Z-Factor: |
-19.9872 |
| Fitness Defect: |
0.4629 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 7|C10 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.00 Celcius | | Date: | 2006-05-11 YYYY-MM-DD | | Plate CH Control (+): | 0.03745±0.00186 | | Plate DMSO Control (-): | 0.793525±0.02069 | | Plate Z-Factor: | 0.8988 |
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ps
pdf |
| 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 | |
|
