| Compound Information | SONAR Target prediction | | Name: | GALLIC ACID | | Unique Identifier: | SPE00210369 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 164.072 g/mol | | X log p: | 4.357 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 17.07 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 5 | | Rotatable Bond Count: | 1 | | Canonical Smiles: | OC(=O)c1cc(O)c(O)c(O)c1 | | Class: | aromatic | | Source: | insect galls | | Reference: | J Chem Soc 1961:1854; Agric Biol Chem 30:617 (1966); Phytochemistry 10:894 (1971);
11:1911 (1972); Cancer Res 39:844 (1979); J Med Chem 22:589 (1979) | | Therapeutics: | antineoplastic, astringent, antibacterial |
| Species: |
4932 |
| Condition: |
TRK1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5435±0.00890955 |
| Normalized OD Score: sc h |
1.0844±0.013124 |
| Z-Score: |
2.5983±0.421899 |
| p-Value: |
0.0126099 |
| Z-Factor: |
-0.927416 |
| Fitness Defect: |
4.3733 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 7|C11 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.60 Celcius | | Date: | 2008-03-14 YYYY-MM-DD | | Plate CH Control (+): | 0.039975±0.00042 | | Plate DMSO Control (-): | 0.472325±0.01810 | | Plate Z-Factor: | 0.8564 |
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| 370 |
3,4,5-trihydroxybenzoic acid |
| 67314 |
bismuth(+3) cation; 3,4,5-trihydroxybenzoate; hydroxide; iodide |
| 86954 |
lithium 3,4,5-trihydroxybenzoate |
| 92702 |
bismuth(+3) cation; 3,4,5-trihydroxybenzoate |
| 159638 |
sodium 3,4,5-trihydroxybenzoate |
| 4598586 |
3,4,5-trihydroxybenzoate |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 8976 | Additional Members: 4 | Rows returned: 0 | |
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