| Compound Information | SONAR Target prediction | | Name: | EPICATECHIN MONOGALLATE | | Unique Identifier: | SPE00210238 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 424.229 g/mol | | X log p: | 16.656 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 35.53 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 10 | | Rotatable Bond Count: | 4 | | Canonical Smiles: | Oc1cc(O)c2CC(OC(=O)c3cc(O)c(O)c(O)c3)C(Oc2c1)c1ccc(O)c(O)c1 | | Class: | flavan | | Source: | tea pigment |
| Species: |
4932 |
| Condition: |
BEM2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.4609±0.000989949 |
| Normalized OD Score: sc h |
1.0250±0.00978107 |
| Z-Score: |
2.0188±0.445087 |
| p-Value: |
0.053992 |
| Z-Factor: |
-1.7905 |
| Fitness Defect: |
2.9189 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 12|D2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.40 Celcius | | Date: | 2008-02-05 YYYY-MM-DD | | Plate CH Control (+): | 0.0413±0.00168 | | Plate DMSO Control (-): | 0.458125±0.01949 | | Plate Z-Factor: | 0.8633 |
|  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 | |
| active | Cluster 8942 | Additional Members: 11 | Rows returned: 7 | 1 2 Next >> |
|
