Compound Information | SONAR Target prediction | Name: | 2-,2--BISEPIGALLOCATECHIN MONOGALLATE | Unique Identifier: | SPE00201506 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 732.385 g/mol | X log p: | 20.356 (online calculus) | Lipinksi Failures | 2 | TPSA | 44.76 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 18 | Rotatable Bond Count: | 6 | Canonical Smiles: | OC1Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1c1c(O)c(O)c(O)cc1C1Oc2cc(O)cc(O) c2CC1OC(=O)c1cc(O)c(O)c(O)c1 | Class: | flavan | Source: | black tea constituent |
Species: |
4932 |
Condition: |
APC9 |
Replicates: |
2 |
Raw OD Value: r im |
0.6345±0.00523259 |
Normalized OD Score: sc h |
0.8847±0.00912429 |
Z-Score: |
-6.2611±0.401286 |
p-Value: |
0.0000000011635 |
Z-Factor: |
-5.20419 |
Fitness Defect: |
20.5718 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 2|H10 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 21.40 Celcius | Date: | 2007-11-22 YYYY-MM-DD | Plate CH Control (+): | 0.0412±0.00025 | Plate DMSO Control (-): | 0.69275±0.12390 | Plate Z-Factor: | 0.4147 |
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DBLink | Rows returned: 4 | |
442543 |
[(2R,3R)-2-[2-[6-[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-chroman-2-yl]-2,3,4-trihydroxy-ph enyl]-3,4,5-trihydroxy-phenyl]-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate |
467315 |
[(2R,3R)-5,7-dihydroxy-2-[3,4,5-trihydroxy-2-[2,3,4-trihydroxy-6-[(2R,3R)-3,5,7-trihydroxychroman-2-yl]p henyl]phenyl]chroman-3-yl] 3,4,5-trihydroxybenzoate |
5152597 |
[2-[2-[6-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-chroman-2-yl]-2,3,4-trihydroxy-phenyl]-3,4,5-trih ydroxy-phenyl]-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate |
5152866 |
[5,7-dihydroxy-2-[3,4,5-trihydroxy-2-[2,3,4-trihydroxy-6-(3,5,7-trihydroxychroman-2-yl)phenyl]phenyl]chr oman-3-yl] 3,4,5-trihydroxybenzoate |
internal high similarity DBLink | Rows returned: 1 | |
active | Cluster 8942 | Additional Members: 11 | Rows returned: 7 | << Back 1 2 |
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