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: |
TOP1 |
Replicates: |
2 |
Raw OD Value: r im |
0.2579±0.00678822 |
Normalized OD Score: sc h |
0.8241±0.0159188 |
Z-Score: |
-1.5266±0.0426564 |
p-Value: |
0.127041 |
Z-Factor: |
0.00360776 |
Fitness Defect: |
2.0632 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 7|H4 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 24.00 Celcius | Date: | 2006-04-25 YYYY-MM-DD | Plate CH Control (+): | 0.039400000000000004±0.00184 | Plate DMSO Control (-): | 0.335525±0.01413 | Plate Z-Factor: | 0.8288 |
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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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