| 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: |
HXK2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7493±0.00183848 |
| Normalized OD Score: sc h |
0.9931±0.00208321 |
| Z-Score: |
-0.3118±0.0977321 |
| p-Value: |
0.755786 |
| Z-Factor: |
-6.6194 |
| Fitness Defect: |
0.28 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 16|F3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 22.90 Celcius | | Date: | 2008-03-05 YYYY-MM-DD | | Plate CH Control (+): | 0.04165±0.00068 | | Plate DMSO Control (-): | 0.731475±0.01199 | | Plate Z-Factor: | 0.9314 |
|  png
ps
pdf |
| 101861 |
[(3S,8S,9S,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 |
| 287665 |
(10-methyl-7-oxo-17-propan-2-yl-2,3,4,8,9,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3
-yl) acetate |
| 287666 |
[10,13-dimethyl-17-(6-methylheptan-2-yl)-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phe
nanthren-3-yl] acetate |
| 536625 |
(4,4,10,13-tetramethyl-7-oxo-2,3,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl)
acetate |
| 540873 |
(10,13-dimethyl-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl) acetate |
| 541078 |
(17-acetyl-10,13-dimethyl-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl)
acetate |
| internal high similarity DBLink | Rows returned: 2 | |
| active | Cluster 15449 | Additional Members: 9 | Rows returned: 0 | |
|
