| Compound Information | SONAR Target prediction | | Name: | EPIGALLOCATECHIN-3-MONOGALLATE | | Unique Identifier: | SPE00210239 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 440.229 g/mol | | X log p: | 15.067 (online calculus) | | Lipinksi Failures | 2 | | TPSA | 35.53 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 11 | | Rotatable Bond Count: | 4 | | Canonical Smiles: | Oc1cc(O)c2CC(OC(=O)c3cc(O)c(O)c(O)c3)C(Oc2c1)c1cc(O)c(O)c(O)c1 | | Class: | flavan | | Source: | tea pigment |
| Species: |
4932 |
| Condition: |
SSB2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.3035±0.021991 |
| Normalized OD Score: sc h |
0.4398±0.0291196 |
| Z-Score: |
-30.7762±1.65373 |
| p-Value: |
0 |
| Z-Factor: |
0.726272 |
| Fitness Defect: |
INF |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 13|G8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.30 Celcius | | Date: | 2008-05-29 YYYY-MM-DD | | Plate CH Control (+): | 0.04005±0.00071 | | Plate DMSO Control (-): | 0.678175±0.01489 | | Plate Z-Factor: | 0.9328 |
|  png
ps
pdf |
| 1287 |
[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl] 3,4,5-trihydroxybenzoate |
| 65056 |
[(2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate |
| 65064 |
[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl] 3,4,5-trihydroxybenzoate |
| 107905 |
[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate |
| 156196 |
[(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] 3,4-dihydroxybenzoate |
| 199472 |
[(2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl] 3,4,5-trihydroxybenzoate |
| internal high similarity DBLink | Rows returned: 4 | |
|
