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: |
RSA3 |
Replicates: |
2 |
Raw OD Value: r im |
0.6644±0.0258094 |
Normalized OD Score: sc h |
0.9825±0.0219957 |
Z-Score: |
-0.7563±0.943361 |
p-Value: |
0.541734 |
Z-Factor: |
-10.0341 |
Fitness Defect: |
0.613 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 16|F3 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 23.70 Celcius | Date: | 2008-04-01 YYYY-MM-DD | Plate CH Control (+): | 0.041575±0.00159 | Plate DMSO Control (-): | 0.67925±0.01878 | Plate Z-Factor: | 0.9004 |
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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 | |
nonactive | Cluster 15449 | Additional Members: 9 | Rows returned: 2 | |
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