| Compound Information | SONAR Target prediction |
| Name: | beta-CARYOPHYLLENE ALCOHOL |
| Unique Identifier: | SPE00300105 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 196.16 g/mol |
| X log p: | -0.484 (online calculus) |
| Lipinksi Failures | 0 |
| TPSA | 0 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 1 |
| Rotatable Bond Count: | 0 |
| Canonical Smiles: | CC1(C)CC2C1CCC1(C)CCCC2(O)C1 |
| Class: | sesquiterpene |
| Source: | palmarosa oil, Cymbopogon martini |
| Reference: | Aust J Chem 41: 1755 (1988) |
| 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: 8 active | as graph: single | with analogs | << Back 1 2 3 4 5 6 7 8 Next >> |
| Species: | 4932 |
| Condition: | PFK2 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.3834±0.0113844 |
| Normalized OD Score: sc h | 0.8608±0.0189147 |
| Z-Score: | -4.4680±0.560656 |
| p-Value: | 0.0000239194 |
| Z-Factor: | -0.176341 |
| Fitness Defect: | 10.6408 |
| Bioactivity Statement: | Active |
| ps |
| DBLink | Rows returned: 2037 | [1] << Back 321 322 323 324 325 326 327 328 329 330 Next >> [340] |
| 7567509 | (3R,4S)-4-ethyloctan-3-ol |
| 7567513 | (3S,4R)-4-ethyloctan-3-ol |
| 7567516 | (3S,4S)-4-ethyloctan-3-ol |
| 7567519 | (3R)-3-ethyl-2-methyl-heptan-2-ol |
| 7688454 | (1S)-1-cyclododecylethanol |
| 7688456 | (1R)-1-cyclododecylethanol |
| 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 8273 | Additional Members: 1 | Rows returned: 0 |
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