| 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: |
CTF18 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5478±0.0046669 |
| Normalized OD Score: sc h |
0.9376±0.00608895 |
| Z-Score: |
-2.8324±0.605938 |
| p-Value: |
0.00866468 |
| Z-Factor: |
-1.11676 |
| Fitness Defect: |
4.7485 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 4|A2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 27.10 Celcius | | Date: | 2007-11-01 YYYY-MM-DD | | Plate CH Control (+): | 0.041800000000000004±0.00059 | | Plate DMSO Control (-): | 0.5763750000000001±0.02170 | | Plate Z-Factor: | 0.8702 |
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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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