| 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: |
LCB3 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7376±0.0373352 |
| Normalized OD Score: sc h |
0.9139±0.0487472 |
| Z-Score: |
-4.7270±2.59092 |
| p-Value: |
0.00189594 |
| Z-Factor: |
-1.22762 |
| Fitness Defect: |
6.268 |
| Bioactivity Statement: |
Outlier |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 4|C2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 27.10 Celcius | | Date: | 2006-03-31 YYYY-MM-DD | | Plate CH Control (+): | 0.039474999999999996±0.00200 | | Plate DMSO Control (-): | 0.793675±0.01024 | | Plate Z-Factor: | 0.9575 |
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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 >> |
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