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: |
DOA4 |
Replicates: |
2 |
Raw OD Value: r im |
0.5429±0.00586899 |
Normalized OD Score: sc h |
0.8330±0.00248205 |
Z-Score: |
-6.6278±0.265358 |
p-Value: |
0.0000000000643732 |
Z-Factor: |
0.439557 |
Fitness Defect: |
23.4663 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 12|D2 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 23.90 Celcius | Date: | 2008-05-02 YYYY-MM-DD | Plate CH Control (+): | 0.040325±0.00040 | Plate DMSO Control (-): | 0.6221±0.01800 | Plate Z-Factor: | 0.9035 |
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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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