| 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: |
MCM21 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6967±0.00113137 |
| Normalized OD Score: sc h |
1.0349±0.00366804 |
| Z-Score: |
1.7094±0.0884142 |
| p-Value: |
0.0879886 |
| Z-Factor: |
-1.63007 |
| Fitness Defect: |
2.4305 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 6|D7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.90 Celcius | | Date: | 2007-11-07 YYYY-MM-DD | | Plate CH Control (+): | 0.04065±0.00046 | | Plate DMSO Control (-): | 0.6613500000000001±0.02247 | | Plate Z-Factor: | 0.8887 |
|  png
ps
pdf |
| 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 | |
|
