| Compound Information | SONAR Target prediction |
| Name: | FUCOSTANOL |
| Unique Identifier: | SPE01504053 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 364.31 g/mol |
| X log p: | 1.79 (online calculus) |
| Lipinksi Failures | 0 |
| TPSA | 0 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 1 |
| Rotatable Bond Count: | 6 |
| Canonical Smiles: | CCC(CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C)C(C)C |
| Class: | sterol |
| Source: | Calendula officinalis |
| Reference: | J Am Chem Soc 60: 2431 (1938) |
| 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: 205 nonactive as graph: single | with analogs | [1] << Back 201 202 203 204 205 Next >> [205] |
| Species: | 4932 |
| Condition: | MKK1 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.7730±0.00141421 |
| Normalized OD Score: sc h | 1.0074±0.013147 |
| Z-Score: | 0.2228±0.387356 |
| p-Value: | 0.789324 |
| Z-Factor: | -615.244 |
| Fitness Defect: | 0.2366 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 2037 | [1] << Back 1 2 3 4 5 6 7 8 9 10 Next >> [340] |
| 15166 | cyclodecanol |
| 15406 | 1,3,3-trimethylnorbornan-2-ol |
| 15448 | undecan-2-ol |
| 15449 | tridecan-2-ol |
| 15450 | 6-methylheptan-1-ol |
| 15595 | cyclododecanol |
| 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 2228 | Additional Members: 18 | Rows returned: 7 | 1 2 Next >> |
| SPE00270051 | 0.451219512195122 |
| SPE01500835 | 0.309859154929578 |
| SPE01500605 | 0.3 |
| SPE01500837 | 0.3 |
| Prest256 | 0.3 |
| SPE01500906 | 0 |
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