| 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: |
SAC3 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.2724±0.0431335 |
| Normalized OD Score: sc h |
0.6032±0.0545753 |
| Z-Score: |
-11.6937±1.88488 |
| p-Value: |
1.86766e-25 |
| Z-Factor: |
0.36313 |
| Fitness Defect: |
56.9399 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 24|C4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.60 Celcius | | Date: | 2008-05-16 YYYY-MM-DD | | Plate CH Control (+): | 0.0403±0.00062 | | Plate DMSO Control (-): | 0.44310000000000005±0.01341 | | Plate Z-Factor: | 0.8934 |
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| 165675 |
(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexan-1-ol |
| 168951 |
(3S,4aS,6aR,6aR,6bR,8aS,12aS,14aS,14bS)-4,4,6a,6b,9,9,12a,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,8a,10,11,12
,13,14,14a-hexadecahydropicen-3-ol |
| 169854 |
8-hydroxyoctan-1-olate; titanium(+4) cation |
| 170196 |
dodecan-1-ol; tridecan-1-ol |
| 170582 |
(2R)-5-methyl-2-propan-2-yl-hexan-1-ol |
| 170591 |
n/a |
| 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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