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: |
BRE1 |
Replicates: |
2 |
Raw OD Value: r im |
0.6254±0.00502046 |
Normalized OD Score: sc h |
0.8874±0.00218157 |
Z-Score: |
-4.5559±0.0508125 |
p-Value: |
0.00000528878 |
Z-Factor: |
0.436658 |
Fitness Defect: |
12.1499 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 9|A4 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 26.70 Celcius | Date: | 2006-03-16 YYYY-MM-DD | Plate CH Control (+): | 0.039900000000000005±0.00171 | Plate DMSO Control (-): | 0.69095±0.01320 | Plate Z-Factor: | 0.9110 |
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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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