| Compound Information | SONAR Target prediction |
| Name: | ROBUSTIC ACID |
| Unique Identifier: | SPE00240673 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 360.232 g/mol |
| X log p: | 15.101 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 53.99 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 6 |
| Rotatable Bond Count: | 3 |
| Canonical Smiles: | COc1ccc(cc1)C1C(=O)Oc2cc3OC(C)(C)C=Cc3c(OC)c2C=1O |
| Class: | coumarin |
| Source: | Derris robusta |
| Reference: | J Chem Soc 1969:365 |
| Found: 193 nonactive | as graph: single | with analogs | [1] << Back 161 162 163 164 165 166 167 168 169 170 Next >> [193] |
| Species: | 4932 |
| Condition: | REF2 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.4447±0.0325976 |
| Normalized OD Score: sc h | 0.9813±0.0037226 |
| Z-Score: | -0.5502±0.109996 |
| p-Value: | 0.583356 |
| Z-Factor: | -10.9578 |
| Fitness Defect: | 0.539 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 0 |
| internal high similarity DBLink | Rows returned: 1 |
| SPE00240660 | 0.9040 |
| active | Cluster 12397 | Additional Members: 2 | Rows returned: 1 |
| SPE00240660 | 0 |
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