| Compound Information | SONAR Target prediction | | Name: | DIHYDROXY (3alpha,12alpha)PREGNAN-20-ONE | | Unique Identifier: | SPE00100652 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 300.223 g/mol | | X log p: | -0.683 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 17.07 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 3 | | Rotatable Bond Count: | 1 | | Canonical Smiles: | CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C21C | | Class: | sterol | | Source: | semisynthetic |
| Species: |
4932 |
| Condition: |
SMI1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6945±0.0697914 |
| Normalized OD Score: sc h |
1.2126±0.0139127 |
| Z-Score: |
4.4949±0.674059 |
| p-Value: |
0.0000296408 |
| Z-Factor: |
0.273931 |
| Fitness Defect: |
10.4264 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 4|F3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.10 Celcius | | Date: | 2005-12-20 YYYY-MM-DD | | Plate CH Control (+): | 0.039125±0.00116 | | Plate DMSO Control (-): | 0.66885±0.02433 | | Plate Z-Factor: | 0.8784 |
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ps
pdf |
| 1333 |
(10-hydroxy-2,3,4,4a,5,6,7,8,8a,9a,10,10a-dodecahydro-1H-anthracen-9-ylidene)oxidanium |
| 10570 |
(3S)-3,11-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthr
en-17-one |
| 28539 |
4-hydroxy-4-methyl-cyclohexan-1-one |
| 36653 |
4-hydroxydecalin-1-one |
| 64184 |
5-hydroxyadamantan-2-one |
| 65529 |
(3R,8S,9S,10S,11S,13S,14S)-3,11-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydro
cyclopenta[a]phenanthren-17-one |
| internal high similarity DBLink | Rows returned: 3 | |
| active | Cluster 17389 | Additional Members: 4 | Rows returned: 1 | |
|
