| Compound Information | SONAR Target prediction |
| Name: | CHAULMOOGRIC ACID |
| Unique Identifier: | SPE00310016 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C18H32O2 |
| Molecular Weight: | 248.191 g/mol |
| X log p: | 3.579 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 17.07 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 2 |
| Rotatable Bond Count: | 13 |
| Canonical Smiles: | OC(=O)CCCCCCCCCCCCC1CCC=C1 |
| Source: | ex oils of Hydnocarpus and Oncola spp |
| Reference: | J Chromatography 39: 182 (1969) |
| 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: 48 active | as graph: single | with analogs | [1] << Back 31 32 33 34 35 36 37 38 39 40 Next >> [48] |
| Species: | 4932 |
| Condition: | SEC22 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.5038±0.020294 |
| Normalized OD Score: sc h | 0.8125±0.034823 |
| Z-Score: | -6.4850±0.902987 |
| p-Value: | 0.00000000251024 |
| Z-Factor: | -1.24093 |
| Fitness Defect: | 19.8029 |
| Bioactivity Statement: | Active |
| ps |
| DBLink | Rows returned: 282 | [1] << Back 31 32 33 34 35 36 37 38 39 40 Next >> [47] |
| 6433168 | potassium (E)-octadec-9-enoate |
| 6433210 | aluminum(+3) cation; (E)-octadec-9-enoate |
| 6433251 | mercury(+2) cation; (E)-octadec-9-enoate |
| 6433282 | magnesium(+2) cation; (E)-octadec-9-enoate |
| 6433305 | (E)-octadec-9-enoate; tin(+2) cation |
| 6433548 | copper (E)-octadec-9-enoate |
| internal high similarity DBLink | Rows returned: 5 |
| SPE00100550 | 0.9091 |
| SPE01800031 | 0.9091 |
| BTBG 00247 | 0.9524 |
| LOPAC 01105 | 1.0000 |
| SPE01500856 | 1.0000 |
| active | Cluster 3231 | Additional Members: 3 | Rows returned: 1 |
| SPE00310017 | 0 |
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