| Compound Information | SONAR Target prediction |
| Name: | PARTHENOLIDE |
| Unique Identifier: | SPE01503640 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 228.159 g/mol |
| X log p: | 2.151 (online calculus) |
| Lipinksi Failures | 0 |
| TPSA | 38.83 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 3 |
| Rotatable Bond Count: | 0 |
| Canonical Smiles: | CC1CCC2C(OC(=O)C2=C)C2OC2(C)CCC=1 |
| Class: | sesquiterpene |
| Source: | Chrysanthemum parthenium, Michelia champaca |
| Reference: | Tetrahedron 21:1509 (1965); Phytochemistry 17:957 (1978); 39:839 (1995); Br J Pharmacol 112:9 (1994) |
| Therapeutics: | 5HT antagonist, antineoplastic, smooth muscle relaxant |
| Found: 110 active | as graph: single | with analogs | [1] << Back 1 2 3 4 5 6 7 8 9 10 Next >> [110] |
| Species: | 4932 |
| Condition: | SPE00330001 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.0518±0 |
| Normalized OD Score: sc h | 0.1827±0 |
| Z-Score: | -9.2472±0 |
| p-Value: | 2.30372e-20 |
| Z-Factor: | 0.798989 |
| Fitness Defect: | 45.2172 |
| Bioactivity Statement: | Toxic |
| ps |
| DBLink | Rows returned: 16 | 1 2 3 Next >> |
| 4692 |
| 108068 |
| 927704 |
| 5320420 |
| 5353864 |
| 5420804 |
| internal high similarity DBLink | Rows returned: 1 |
| LOPAC 01123 | 1.0000 |
| active | Cluster 2298 | Additional Members: 5 | Rows returned: 2 |
| LOPAC 01123 | 0 |
| LAT003F02 | 0 |
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