| Compound Information | SONAR Target prediction | | Name: | IRIGENIN, 7-BENZYL ETHER | | Unique Identifier: | SPE00200763 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C25H22O8 | | Molecular Weight: | 428.263 g/mol | | X log p: | 20.51 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 63.22 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 8 | | Rotatable Bond Count: | 7 | | Canonical Smiles: | COc1cc(cc(O)c1OC)C1=COc2cc(OCc3ccccc3)c(OC)c(O)c2C1=O | | Source: | derivative of irigenin from Iris spp. |
| Species: |
4932 |
| Condition: |
TOP1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.1338±0.0100409 |
| Normalized OD Score: sc h |
0.4488±0.0128207 |
| Z-Score: |
-4.7929±0.188759 |
| p-Value: |
0.00000200432 |
| Z-Factor: |
0.593902 |
| Fitness Defect: |
13.1202 |
| Bioactivity Statement: |
Toxic |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 3|G10 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.40 Celcius | | Date: | 2006-04-25 YYYY-MM-DD | | Plate CH Control (+): | 0.039575±0.00152 | | Plate DMSO Control (-): | 0.33492500000000003±0.02042 | | Plate Z-Factor: | 0.7685 |
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| DBLink | Rows returned: 1 | |
| 6063287 |
5-hydroxy-3-(3-hydroxy-4,5-dimethoxy-phenyl)-6-methoxy-7-phenylmethoxy-chromen-4-one |
| internal high similarity DBLink | Rows returned: 1 | |
| nonactive | Cluster 9315 | Additional Members: 4 | Rows returned: 3 | |
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