| Compound Information | SONAR Target prediction |
| Name: | THEAFLAVIN MONOGALLATES |
| Unique Identifier: | SPE00210242 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 688.376 g/mol |
| X log p: | 21.02 (online calculus) |
| Lipinksi Failures | 2 |
| TPSA | 61.83 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 16 |
| Rotatable Bond Count: | 5 |
| Canonical Smiles: | OC1Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c2C(=O)C(O)=CC(=Cc12)C1Oc2cc(O)cc(O)c2 CC1OC(=O)c1cc(O)c(O)c(O)c1 |
| Class: | benztropolone |
| Source: | mixed isomers black tea (3- shown) |
| Reference: | Tet Lets 1970: 5237 |
| Found: 67 nonactive | as graph: single | with analogs | [1] << Back 51 52 53 54 55 56 57 58 59 60 Next >> [67] |
| Species: | 4932 |
| Condition: | SRL3 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.6704±0.026163 |
| Normalized OD Score: sc h | 0.9442±0.0362806 |
| Z-Score: | -3.1754±2.05561 |
| p-Value: | 0.0425464 |
| Z-Factor: | -2.28178 |
| Fitness Defect: | 3.1572 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 0 |
| internal high similarity DBLink | Rows returned: 2 |
| SPE00201515 | 0.9936 |
| SPE00241155 | 1.0000 |
| active | Cluster 8942 | Additional Members: 11 | Rows returned: 7 | 1 2 Next >> |
| SPE00241155 | 0.443181818181818 |
| SPE00201515 | 0.402439024390244 |
| SPE00201506 | 0.364864864864865 |
| SPE00201507 | 0.287878787878788 |
| SPE00201513 | 0.242424242424242 |
| SPE00210238 | 0.230769230769231 |
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