| 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: |
TOP1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6511±0.019304 |
| Normalized OD Score: sc h |
1.2483±0.000847814 |
| Z-Score: |
4.0068±0.211598 |
| p-Value: |
0.0000735136 |
| Z-Factor: |
0.68568 |
| Fitness Defect: |
9.518 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 4|C5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.40 Celcius | | Date: | 2006-04-26 YYYY-MM-DD | | Plate CH Control (+): | 0.039575±0.00117 | | Plate DMSO Control (-): | 0.61475±0.01562 | | Plate Z-Factor: | 0.8810 |
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ps
pdf |
| 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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