| Compound Information | SONAR Target prediction |
| Name: | BACCATIN III |
| Unique Identifier: | SPE01505034 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C31H38O11 |
| Molecular Weight: | 548.325 g/mol |
| X log p: | (online calculus) |
| Lipinksi Failures | |
| TPSA | |
| Hydrogen Bond Donor Count: | |
| Hydrogen Bond Acceptors Count: | |
| Rotatable Bond Count: | |
| Canonical Smiles: | CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(O)C( C)=C1C2(C)C |
| Class: | diterpene |
| Source: | Taxus baccata |
| Reference: | J Org Chem 51:3239 (1986) |
| Found: 104 nonactive as graph: single | with analogs | [1] << Back 91 92 93 94 95 96 97 98 99 100 Next >> [104] |
| Species: | 4932 |
| Condition: | IRE1 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.7870±0.0367696 |
| Normalized OD Score: sc h | 0.9948±0.00173927 |
| Z-Score: | -0.1448±0.0522863 |
| p-Value: | 0.884972 |
| Z-Factor: | -8.9074 |
| Fitness Defect: | 0.1222 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 0 |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 10247 | Additional Members: 8 | Rows returned: 1 |
| SPE01503908 | 0 |
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