| Compound Information | SONAR Target prediction |
| Name: | PIMPINELLIN |
| Unique Identifier: | SPE00300013 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 236.136 g/mol |
| X log p: | 9.524 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 53.99 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 5 |
| Rotatable Bond Count: | 2 |
| Canonical Smiles: | COc1c(OC)c2C=CC(=O)Oc2c2ccoc12 |
| Class: | coumarin |
| Source: | Heracleum maximum root; mp 118-119 C |
| Reference: | Monatsh 59: 161 (1932); J Org Chem 35: 2294 (1970) |
| Therapeutics: | GABA receptor antagonist, phototoxin |
| Found: 17 active | as graph: single | with analogs | << Back 1 2 3 4 5 6 7 8 9 10 Next >> |
| Species: | 4932 |
| Condition: | SAM2 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.5983±0.0220617 |
| Normalized OD Score: sc h | 0.9183±0.0085999 |
| Z-Score: | -4.1422±0.505252 |
| p-Value: | 0.0000802786 |
| Z-Factor: | -3.17936 |
| Fitness Defect: | 9.43 |
| Bioactivity Statement: | Active |
| ps |
| DBLink | Rows returned: 1 |
| 4825 |
| internal high similarity DBLink | Rows returned: 2 |
| SPE00300005 | 0.9179 |
| SPE00300012 | 0.9640 |
| active | Cluster 15649 | Additional Members: 2 | Rows returned: 1 |
| SPE00300032 | 0 |
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