| 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 |
|  png
ps
pdf |
| 596550 |
n/a |
| 606364 |
3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11
-one |
| 616200 |
17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthr
en-12-one |
| 616684 |
3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6
-one |
| 623023 |
cyclopentane; 7-hydroxy-6,7-dihydro-5H-inden-4-one; iron |
| 627590 |
17-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11-dio
ne |
| internal high similarity DBLink | Rows returned: 3 | |
| active | Cluster 17389 | Additional Members: 4 | Rows returned: 1 | |
|
