| 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 101 102 103 104 105 106 107 108 109 110 Next >> [193] |
| Species: | 4932 |
| Condition: | AAT2 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.6983±0.00296985 |
| Normalized OD Score: sc h | 0.9651±0.00411699 |
| Z-Score: | -1.8548±0.25969 |
| p-Value: | 0.0680918 |
| Z-Factor: | -0.961804 |
| Fitness Defect: | 2.6869 |
| 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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