| Compound Information | SONAR Target prediction |
| Name: | 21-ACETOXYPREGNENOLONE |
| Unique Identifier: | SPE01505123 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C23H34O4 |
| Molecular Weight: | 340.244 g/mol |
| X log p: | (online calculus) |
| Lipinksi Failures | |
| TPSA | |
| Hydrogen Bond Donor Count: | |
| Hydrogen Bond Acceptors Count: | |
| Rotatable Bond Count: | |
| Canonical Smiles: | CC(=O)OCC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC21C |
| Class: | sterol |
| Source: | semisynthetic |
| Reference: | PNAS 94:4895 (1997) |
| Therapeutics: | precursor in corticoid biosynthesis, derivative |
| Found: 67 nonactive | as graph: single | with analogs | [1] << Back 31 32 33 34 35 36 37 38 39 40 Next >> [67] |
| Species: | 4932 |
| Condition: | NAT1 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.7156±0.0098995 |
| Normalized OD Score: sc h | 1.0052±0.00861107 |
| Z-Score: | 0.3079±0.503389 |
| p-Value: | 0.73423 |
| Z-Factor: | -12.1359 |
| Fitness Defect: | 0.3089 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 0 |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 7902 | Additional Members: 9 | Rows returned: 3 |
| SPE00270029 | 0.405797101449275 |
| SPE01500645 | 0.276923076923077 |
| SPE01505713 | 0.205882352941177 |
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