| 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 |
| Found: 74 active | as graph: single | with analogs | [1] << Back 71 72 73 74 Next >> [74] |
| Species: | 4932 |
| Condition: | WHI5 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.5011±0.0203647 |
| Normalized OD Score: sc h | 0.7433±0.0188705 |
| Z-Score: | -9.4661±0.273198 |
| p-Value: | 9.2831e-21 |
| Z-Factor: | 0.520841 |
| Fitness Defect: | 46.1261 |
| Bioactivity Statement: | Active |
| ps |
| DBLink | Rows returned: 2037 | [1] << Back 331 332 333 334 335 336 337 338 339 340 |
| 16062008 | cyclopentane; iron(+2) cation; (2-methylcyclopentyl)methanol |
| 16062009 | (2-methylcyclopentyl)methanol |
| 16070753 | 1-(1,7,7-trimethyl-6-bicyclo[2.2.1]heptyl)cyclohexan-1-ol |
| internal high similarity DBLink | Rows returned: 38 | 1 2 3 4 5 6 7 Next >> |
| BTB 12413 | 0.9231 |
| RJC 00940 | 0.9231 |
| JFD 01247 | 0.9231 |
| NRB 02212 | 0.9231 |
| BTB 14986 | 0.9231 |
| BTB 14459 | 0.9231 |
| active | Cluster 4444 | Additional Members: 3 | Rows returned: 1 |
| SPE00310015 | 0.490566037735849 |
Service provided by the
Mike Tyers Laboratory