| Compound Information | SONAR Target prediction |
| Name: | SPHONDIN |
| Unique Identifier: | SPE00300005 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 208.126 g/mol |
| X log p: | 11.189 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 44.76 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 4 |
| Rotatable Bond Count: | 1 |
| Canonical Smiles: | COc1cc2C=CC(=O)Oc2c2ccoc12 |
| Class: | coumarin |
| Source: | Heracleum maximum root; mp 191-192 C |
| Reference: | Ber 74:595 (1941); Monatsh Chem 84:217 (1953) |
| Found: 52 active | as graph: single | with analogs | [1] << Back 1 2 3 4 5 6 7 8 9 10 Next >> [52] |
| Species: | 4932 |
| Condition: | RPN10 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.6090±0.0346482 |
| Normalized OD Score: sc h | 0.8992±0.0359975 |
| Z-Score: | -5.0844±1.74974 |
| p-Value: | 0.0000597418 |
| Z-Factor: | -5.25581 |
| Fitness Defect: | 9.7255 |
| Bioactivity Statement: | Active |
| ps |
| DBLink | Rows returned: 1 |
| 108104 |
| internal high similarity DBLink | Rows returned: 1 |
| SPE00300013 | 0.9179 |
| active | Cluster 12807 | Additional Members: 6 | Rows returned: 3 |
| LAT001C03 | 0.305084745762712 |
| SPE00102076 | 0.305084745762712 |
| SPE01500400 | 0 |
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