| Compound Information | SONAR Target prediction | | Name: | EMODIC ACID | | Unique Identifier: | SPE01504060 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C15H8O7 | | Molecular Weight: | 292.156 g/mol | | X log p: | 6.925 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 51.21 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 7 | | Rotatable Bond Count: | 1 | | Canonical Smiles: | OC(=O)c1cc(O)c2c(=O)c3c(O)cc(O)cc3c(=O)c2c1 | | Source: | ex Penicillium cyclopium, Calopaca ferruginea | | Reference: | Helv Chim Acta 8: 126 (1925); Biochem J 34: 159 (1940) | | Therapeutics: | cathartic, purgative |
| Species: |
4932 |
| Condition: |
KGD1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6504±0.0178191 |
| Normalized OD Score: sc h |
0.9146±0.00888074 |
| Z-Score: |
-5.0124±0.448071 |
| p-Value: |
0.00000137855 |
| Z-Factor: |
-0.545456 |
| Fitness Defect: |
13.4945 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 9|A4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.00 Celcius | | Date: | 2007-09-11 YYYY-MM-DD | | Plate CH Control (+): | 0.03945±0.00037 | | Plate DMSO Control (-): | 0.696825±0.02320 | | Plate Z-Factor: | 0.8817 |
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ps
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| DBLink | Rows returned: 1 | |
| 10169 |
4,5,7-trihydroxy-9,10-dioxo-anthracene-1-carboxylic acid |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 1535 | Additional Members: 5 | Rows returned: 3 | |
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