| Compound Information | SONAR Target prediction | | Name: | EUPATORIN | | Unique Identifier: | SPE01500731 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C18H16O7 | | Molecular Weight: | 328.188 g/mol | | X log p: | 11.72 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 53.99 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 7 | | Rotatable Bond Count: | 4 | | Canonical Smiles: | COc1ccc(cc1O)C1Oc2cc(OC)c(OC)c(O)c2C(=O)C=1 | | Source: | ex Eupatorium spp and other Compositae | | Reference: | J Pharm Sci 54: 929 (1965); Tetrahedron 25: 1603 (1969) | | Therapeutics: | emetic |
| Species: |
4932 |
| Condition: |
CNB1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.8251±0.0119501 |
| Normalized OD Score: sc h |
1.0059±0.00848181 |
| Z-Score: |
0.2967±0.423632 |
| p-Value: |
0.774366 |
| Z-Factor: |
-9.0958 |
| Fitness Defect: |
0.2557 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 7|H4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.20 Celcius | | Date: | 2006-03-03 YYYY-MM-DD | | Plate CH Control (+): | 0.0383±0.00156 | | Plate DMSO Control (-): | 0.802225±0.01374 | | Plate Z-Factor: | 0.9321 |
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| DBLink | Rows returned: 2 | |
| 97214 |
5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-6,7-dimethoxy-chromen-4-one |
| 160237 |
2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-chromen-4-one |
| internal high similarity DBLink | Rows returned: 4 | |
| active | Cluster 13276 | Additional Members: 6 | Rows returned: 1 | |
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