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: |
SPE01501210 |
Replicates: |
2 |
Raw OD Value: r im |
0.6129±0.0190212 |
Normalized OD Score: sc h |
0.9395±0.0106539 |
Z-Score: |
-1.1987±0.151155 |
p-Value: |
0.233302 |
Z-Factor: |
-1.60013 |
Fitness Defect: |
1.4554 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SpectrumTMP | Plate Number and Position: | 1|D5 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 22.10 Celcius | Date: | 2006-11-22 YYYY-MM-DD | Plate CH Control (+): | 0.038875±0.00184 | Plate DMSO Control (-): | 0.632675±0.04702 | Plate Z-Factor: | 0.8233 |
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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 >> |
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