| Compound Information | SONAR Target prediction |
| Name: | LONCHOCARPIC ACID |
| Unique Identifier: | SPE00300228 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 408.275 g/mol |
| X log p: | 15.059 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 44.76 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 6 |
| Rotatable Bond Count: | 4 |
| Canonical Smiles: | COc1c2C=CC(C)(C)Oc2c(CC=C(C)C)c2OC(=O)C(=C(O)c21)c1ccc(O)cc1 |
| Class: | coumarin |
| Source: | Lonchocarpus and Derris spp. |
| Reference: | J Org Chem 8:489, 493 (1943); J Chem Soc(C) 1969:334 |
| Found: 72 nonactive | as graph: single | with analogs | [1] << Back 71 72 Next >> [72] |
| Species: | 4932 |
| Condition: | VPS35 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.6889±0.0127279 |
| Normalized OD Score: sc h | 0.9823±0.0126235 |
| Z-Score: | -0.8867±0.615606 |
| p-Value: | 0.418942 |
| Z-Factor: | -7.42037 |
| Fitness Defect: | 0.87 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 0 |
| internal high similarity DBLink | Rows returned: 1 |
| SPE00300348 | 0.9946 |
| active | Cluster 7918 | Additional Members: 2 | Rows returned: 0 |
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