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: |
SPO22 |
Replicates: |
2 |
Raw OD Value: r im |
0.2254±0.0307591 |
Normalized OD Score: sc h |
0.6647±0.0512833 |
Z-Score: |
-4.1161±0.685977 |
p-Value: |
0.000143244 |
Z-Factor: |
-0.227221 |
Fitness Defect: |
8.851 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 4|B11 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 0.00 Celcius | Date: | 2006-05-12 YYYY-MM-DD | Plate CH Control (+): | 0.0384±0.00116 | Plate DMSO Control (-): | 0.32935000000000003±0.02938 | Plate Z-Factor: | 0.6490 |
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367141 |
[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate |
2824823 |
[(2S,3S)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl] 3,4,5-trihydroxybenzoate |
5276454 |
[(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate |
5276890 |
[(2R,3S)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl] 3,4,5-trihydroxybenzoate |
6419835 |
[(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate |
11983314 |
copper [(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-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 >> |
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