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: |
APC9 |
Replicates: |
2 |
Raw OD Value: r im |
0.7021±0.0147078 |
Normalized OD Score: sc h |
1.0133±0.0257004 |
Z-Score: |
0.7133±1.38545 |
p-Value: |
0.440224 |
Z-Factor: |
-13.3601 |
Fitness Defect: |
0.8205 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 4|F3 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 21.60 Celcius | Date: | 2007-11-22 YYYY-MM-DD | Plate CH Control (+): | 0.042025±0.00108 | Plate DMSO Control (-): | 0.679925±0.04700 | Plate Z-Factor: | 0.6990 |
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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 | |
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