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: |
HOC1 |
Replicates: |
2 |
Raw OD Value: r im |
0.5381±0.0376181 |
Normalized OD Score: sc h |
0.8568±0.0133015 |
Z-Score: |
-4.7658±0.207571 |
p-Value: |
0.00000237668 |
Z-Factor: |
0.349129 |
Fitness Defect: |
12.9498 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 3|G10 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 27.60 Celcius | Date: | 2006-02-14 YYYY-MM-DD | Plate CH Control (+): | 0.03895±0.00140 | Plate DMSO Control (-): | 0.623525±0.01155 | Plate Z-Factor: | 0.9279 |
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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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