| 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 61 62 63 64 65 66 67 68 69 70 Next >> [74] |
| Species: | 4932 |
| Condition: | SWI4 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.4338±0.0210718 |
| Normalized OD Score: sc h | 0.7695±0.041588 |
| Z-Score: | -10.3363±2.08082 |
| p-Value: | 3.82864e-19 |
| Z-Factor: | 0.119664 |
| Fitness Defect: | 42.4066 |
| Bioactivity Statement: | Active |
| ps |
| DBLink | Rows returned: 2037 | [1] << Back 21 22 23 24 25 26 27 28 29 30 Next >> [340] |
| 68171 | hexacosan-1-ol |
| 68345 | hentriacontan-1-ol |
| 68406 | octacosan-1-ol |
| 68972 | triacontan-1-ol |
| 69406 | 2-methyloctan-2-ol |
| 69420 | octane-1,8-diol |
| 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 |
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