| 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: |
VPS35 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7135±0.00226274 |
| Normalized OD Score: sc h |
1.0055±0.00750117 |
| Z-Score: |
0.2677±0.371075 |
| p-Value: |
0.795942 |
| Z-Factor: |
-10.245 |
| Fitness Defect: |
0.2282 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 22|A7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.70 Celcius | | Date: | 2008-02-20 YYYY-MM-DD | | Plate CH Control (+): | 0.04195±0.00059 | | Plate DMSO Control (-): | 0.69555±0.01593 | | Plate Z-Factor: | 0.9201 |
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ps
pdf |
| 3562634 |
3-hydroxy-17-(5-hydroxypentan-2-yl)-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a
]phenanthren-7-one |
| 4100117 |
3-hydroxy-10,13-dimethyl-17-(6-methylhept-3-en-2-yl)-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta
[a]phenanthren-7-one |
| 5284267 |
(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-17-[(2R)-6-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 |
| 5284280 |
(7S,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,1
5,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
| 6324992 |
n/a |
| 6710672 |
(3S,10R,13R,17R)-3-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,8,9,11,12,14,15,16,17-dodecah
ydrocyclopenta[a]phenanthren-7-one |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 17506 | Additional Members: 20 | Rows returned: 4 | |
|
