Compound Information | SONAR Target prediction | Name: | 7-OXOCHOLESTEROL | Unique Identifier: | SPE01500854 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 356.288 g/mol | X log p: | 2.056 (online calculus) | Lipinksi Failures | 0 | TPSA | 17.07 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 2 | Rotatable Bond Count: | 5 | Canonical Smiles: | CC(C)CCCC(C)C1CCC2C3C(CCC12C)C1(C)CCC(O)CC1=CC3=O | Class: | sterol | Source: | Cliona copiosa | Reference: | Annalen 543, 240 (1940); JACS 71:2226 (1949); J Chem Soc 1956:1740; 1968:981; Lipids 3:551 (1968); J Nat Prod 55:1588 (1992) |
Species: |
4932 |
Condition: |
BCK1 |
Replicates: |
2 |
Raw OD Value: r im |
0.6627±0.00692965 |
Normalized OD Score: sc h |
1.0029±0.00411081 |
Z-Score: |
0.8829±0.0647191 |
p-Value: |
0.377772 |
Z-Factor: |
-1.17236 |
Fitness Defect: |
0.9735 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 6|D7 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 25.00 Celcius | Date: | 2006-03-24 YYYY-MM-DD | Plate CH Control (+): | 0.038424999999999994±0.00113 | Plate DMSO Control (-): | 0.654025±0.02504 | Plate Z-Factor: | 0.8488 |
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193396 |
(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-17-[(2R)-7-hydroxy-6-methyl-heptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9 ,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
287664 |
3-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a] phenanthren-7-one |
440681 |
(7R)-7-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopen ta[a]phenanthren-3-one |
510082 |
(3S,10R,13R,17R)-17-[(2R,5S)-5-ethyl-6-methyl-heptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14 ,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one |
630242 |
17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-o ne |
3247054 |
(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-6-methyl-heptan-2-yl] -1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one |
internal high similarity DBLink | Rows returned: 0 | |
active | Cluster 17506 | Additional Members: 20 | Rows returned: 4 | |
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