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: |
TRK1 |
Replicates: |
2 |
Raw OD Value: r im |
0.4834±0.0217789 |
Normalized OD Score: sc h |
1.0160±0.0175136 |
Z-Score: |
0.4913±0.546335 |
p-Value: |
0.648288 |
Z-Factor: |
-8.01647 |
Fitness Defect: |
0.4334 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 13|G8 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 25.70 Celcius | Date: | 2008-03-14 YYYY-MM-DD | Plate CH Control (+): | 0.040625±0.00094 | Plate DMSO Control (-): | 0.459275±0.01057 | Plate Z-Factor: | 0.8972 |
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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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