| Compound Information | SONAR Target prediction |
| Name: | CHOL-11-ENIC ACID |
| Unique Identifier: | SPE01500856 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C24H36O3 |
| Molecular Weight: | 337.263 g/mol |
| X log p: | 4.247 (online calculus) |
| Lipinksi Failures | 0 |
| TPSA | 34.14 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 3 |
| Rotatable Bond Count: | 4 |
| Canonical Smiles: | CC(CCC(O)=O)C1CCC2C3CCC4CC(=O)CCC4(C)C3C=CC12C |
| Generic_name: | OLEIC ACID |
| Chemical_iupac_name: | OLEIC ACID |
| Drug_type: | Experimental |
| Kegg_compound_id: | C00712 |
| Drugbank_id: | EXPT02430 |
| Logp: | 6.036 |
| Cas_registry_number: | 112-80-1 |
| Drug_category: | Serum Albumin inhibitor |
| Organisms_affected: | -1 |
| Found: 110 nonactive | as graph: single | with analogs | [1] << Back 1 2 3 4 5 6 7 8 9 10 Next >> [110] |
| Species: | 4932 |
| Condition: | BCK2 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.8081±0.0344361 |
| Normalized OD Score: sc h | 1.0506±0.00550995 |
| Z-Score: | 2.1613±0.501634 |
| p-Value: | 0.0413462 |
| Z-Factor: | -0.256692 |
| Fitness Defect: | 3.1858 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 282 | 1 2 3 4 5 6 7 8 9 10 Next >> [47] |
| 965 | octadec-9-enoic acid |
| 4668 | hexadec-9-enoic acid |
| 8216 | docos-13-enoic acid |
| 10416 | 7-(2-octyl-1-cyclopropenyl)heptanoic acid |
| 11634 | octadec-6-enoic acid |
| 12921 | 8-(2-octyl-1-cyclopropenyl)octanoic acid |
| internal high similarity DBLink | Rows returned: 5 |
| SPE00100550 | 0.9091 |
| SPE01800031 | 0.9091 |
| BTBG 00247 | 0.9524 |
| LOPAC 01105 | 1.0000 |
| SPE00310016 | 1.0000 |
| active | Cluster 15990 | Additional Members: 2 | Rows returned: 1 |
| SPE01500848 | 0.325 |
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