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: |
BY4741 |
Replicates: |
2 |
Raw OD Value: r im |
0.8163±0.00205061 |
Normalized OD Score: sc h |
1.0041±0.0474428 |
Z-Score: |
2.9220±1.74599 |
p-Value: |
0.0457754 |
Z-Factor: |
-1.68098 |
Fitness Defect: |
3.084 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 4|F3 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 28.10 Celcius | Date: | 2005-12-15 YYYY-MM-DD | Plate CH Control (+): | 0.042±0.00739 | Plate DMSO Control (-): | 0.7791000000000001±0.01677 | Plate Z-Factor: | 0.9394 |
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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 | |
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