| Compound Information | SONAR Target prediction | | Name: | CEDROL | | Unique Identifier: | SPE00307059 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 197.168 g/mol | | X log p: | 0.0649999999999999 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 0 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 1 | | Rotatable Bond Count: | 0 | | Canonical Smiles: | CC1CCC2C(C)(C)C3CC12CCC3(C)O | | Class: | sesquiterpene | | Source: | Common constitutent in the Family Cupressaceae | | Reference: | J Org Chem 43: 1964 (1978) | | Therapeutics: | acaricide | | Generic_name: | 5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL | | Chemical_iupac_name: | 5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL | | Drug_type: | Experimental | | Drugbank_id: | EXPT00530 | | Logp: | 3.73 | | Drug_category: | Sex Hormone-Binding Globulin inhibitor | | Organisms_affected: | -1 |
| Species: |
4932 |
| Condition: |
SSE1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.2991±0.0228395 |
| Normalized OD Score: sc h |
0.6544±0.0217133 |
| Z-Score: |
-9.2874±0.0192819 |
| p-Value: |
1.59316e-20 |
| Z-Factor: |
0.385083 |
| Fitness Defect: |
45.586 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 24|C4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.10 Celcius | | Date: | 2008-05-01 YYYY-MM-DD | | Plate CH Control (+): | 0.041374999999999995±0.00082 | | Plate DMSO Control (-): | 0.427875±0.01969 | | Plate Z-Factor: | 0.8372 |
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ps
pdf |
| 2737541 |
(2R)-decan-2-ol |
| 2738127 |
n/a |
| 2747987 |
(1S,2R)-2-propan-2-ylcyclohexan-1-ol |
| 2748126 |
(5R,14S)-5,10,13,14-tetramethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-
ol |
| 2748131 |
(5S)-5,10,13-trimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol |
| 2748136 |
(3R,5R,14S,17S)-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthr
ene-3,17-diol |
| internal high similarity DBLink | Rows returned: 38 | 1 2 3 4 5 6 7 Next >> |
| active | Cluster 4444 | Additional Members: 3 | Rows returned: 1 | |
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