| Compound Information | SONAR Target prediction | | Name: | EPIGALLOCATECHIN OCTAMETHYL ETHER | | Unique Identifier: | SPE00211477 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C30H34O11 | | Molecular Weight: | 536.314 g/mol | | X log p: | 16.175 (online calculus) | | Lipinksi Failures | 3 | | TPSA | 109.37 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 11 | | Rotatable Bond Count: | 12 | | Canonical Smiles: | COc1cc(OC)c2CC(OC(=O)c3cc(OC)c(OC)c(OC)c3)C(Oc2c1)c1cc(OC)c(OC)c(OC)c1 | | Source: | derivative ex green tea |
| Species: |
4932 |
| Condition: |
NBP2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7275±0.028355 |
| Normalized OD Score: sc h |
1.0026±0.00428212 |
| Z-Score: |
0.0728±0.117651 |
| p-Value: |
0.933874 |
| Z-Factor: |
-43.9841 |
| Fitness Defect: |
0.0684 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 21|E9 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.00 Celcius | | Date: | 2006-02-17 YYYY-MM-DD | | Plate CH Control (+): | 0.039575±0.00201 | | Plate DMSO Control (-): | 0.6801±0.01757 | | Plate Z-Factor: | 0.9300 |
|  png
ps
pdf |
| DBLink | Rows returned: 2 | |
| 3598211 |
[5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)chroman-3-yl] 3,4,5-trimethoxybenzoate |
| 6708757 |
[(2R,3R)-5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)chroman-3-yl] 3,4,5-trimethoxybenzoate |
| internal high similarity DBLink | Rows returned: 4 | |
|
