| Compound Information | SONAR Target prediction | | Name: | DANTHRON | | Unique Identifier: | SPE00211468 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 232.147 g/mol | | X log p: | 11.828 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 34.14 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 4 | | Rotatable Bond Count: | 0 | | Canonical Smiles: | Oc1cccc2c(=O)c3cccc(O)c3c(=O)c12 | | Class: | quinone | | Source: | Rheum palmatum, Xyris semifuscata | | Reference: | JACS 53: 4112 (1931) | | Therapeutics: | cathartic |
| Species: |
4932 |
| Condition: |
IRE1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7035±0.00777817 |
| Normalized OD Score: sc h |
0.8987±0.0231437 |
| Z-Score: |
-2.7913±0.72304 |
| p-Value: |
0.011781 |
| Z-Factor: |
-0.422672 |
| Fitness Defect: |
4.4413 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum_ED | | Plate Number and Position: | 13|F11 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 595 nm | | Robot Temperature: | 30.00 Celcius | | Date: | 2010-08-10 YYYY-MM-DD | | Plate CH Control (+): | 0.10325±0.00945 | | Plate DMSO Control (-): | 0.908±0.02126 | | Plate Z-Factor: | 0.9071 |
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ps
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| DBLink | Rows returned: 1 | |
| 2950 |
1,8-dihydroxyanthracene-9,10-dione |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 7565 | Additional Members: 10 | Rows returned: 5 | |
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