Compound Information | SONAR Target prediction | Name: | EPIGALLOCATECHIN 3,5-DIGALLATE | Unique Identifier: | SPE00201513 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 589.309 g/mol | X log p: | 20.001 (online calculus) | Lipinksi Failures | 2 | TPSA | 61.83 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 15 | Rotatable Bond Count: | 7 | Canonical Smiles: | Oc1cc2OC(C(Cc2c(OC(=O)c2cc(O)c(O)c(O)c2)c1)OC(=O)c1cc(O)c(O)c(O)c1)c1c c(O)c(O)c(O)c1 | Class: | flavan | Source: | tea pigment |
Species: |
4932 |
Condition: |
FET3 |
Replicates: |
2 |
Raw OD Value: r im |
0.5917±0.120279 |
Normalized OD Score: sc h |
0.8508±0.166303 |
Z-Score: |
-6.1273±6.72559 |
p-Value: |
0.0850994 |
Z-Factor: |
-2.93176 |
Fitness Defect: |
2.4639 |
Bioactivity Statement: |
Outlier |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 14|C10 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 23.40 Celcius | Date: | 2008-01-10 YYYY-MM-DD | Plate CH Control (+): | 0.04095±0.00058 | Plate DMSO Control (-): | 0.67515±0.01741 | Plate Z-Factor: | 0.9109 |
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DBLink | Rows returned: 3 | |
467299 |
[(2R,3R)-7-hydroxy-5-(3,4,5-trihydroxybenzoyl)oxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl] 3,4,5-trihydroxybenzoate |
3349592 |
[7-hydroxy-5-(3,4,5-trihydroxybenzoyl)oxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl] 3,4,5-trihydroxybenzoate |
4320064 |
[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-(3,4,5-trihydroxybenzoyl)oxy-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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