| Compound Information | SONAR Target prediction |
| Name: | ICHTHYNONE |
| Unique Identifier: | SPE00102018 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 388.242 g/mol |
| X log p: | 13.829 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 72.45 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 7 |
| Rotatable Bond Count: | 3 |
| Canonical Smiles: | COc1cc2C(=O)C(=COc2c2C=CC(C)(C)Oc12)c1cc2OCOc2cc1OC |
| Class: | isoflavone |
| Source: | Piscidia erythrina and Millettia rubiginosa |
| Reference: | Tetrahedron 20:1317 (1964); J Chem Soc(C) 1969:1787 |
| Therapeutics: | piscicide |
| Found: 179 nonactive | as graph: single | with analogs | [1] << Back 51 52 53 54 55 56 57 58 59 60 Next >> [179] |
| Species: | 4932 |
| Condition: | PAC10 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.6835±0.0190212 |
| Normalized OD Score: sc h | 0.9015±0.0101838 |
| Z-Score: | -2.6593±0.180467 |
| p-Value: | 0.00833558 |
| Z-Factor: | -0.537587 |
| Fitness Defect: | 4.7872 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 1 |
| 3428129 |
| internal high similarity DBLink | Rows returned: 1 |
| RJC 01111 | 0.9522 |
| active | Cluster 13403 | Additional Members: 2 | Rows returned: 0 |
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