| 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: |
BCK1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.4862±0.0313248 |
| Normalized OD Score: sc h |
0.6987±0.0465518 |
| Z-Score: |
-15.3457±2.7357 |
| p-Value: |
2.59829e-41 |
| Z-Factor: |
0.301047 |
| Fitness Defect: |
93.4511 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 24|C4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.80 Celcius | | Date: | 2008-05-14 YYYY-MM-DD | | Plate CH Control (+): | 0.040475±0.00063 | | Plate DMSO Control (-): | 0.68675±0.01585 | | Plate Z-Factor: | 0.9237 |
|  png
ps
pdf |
| 8914 |
nonan-1-ol |
| 9027 |
3,6-dimethyloctan-3-ol |
| 10049 |
(1S,2R,4R)-1,7,7-trimethylnorbornan-2-ol |
| 10128 |
2,6,6-trimethylnorpinan-2-ol |
| 10353 |
2-(4-methylcyclohexyl)propan-2-ol |
| 10399 |
cycloheptanol |
| internal high similarity DBLink | Rows returned: 38 | 1 2 3 4 5 6 7 Next >> |
| active | Cluster 4444 | Additional Members: 3 | Rows returned: 1 | |
|
