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: |
TEP1 |
Replicates: |
2 |
Raw OD Value: r im |
0.5169±0.0229103 |
Normalized OD Score: sc h |
0.8259±0.00995749 |
Z-Score: |
-4.6387±0.0170457 |
p-Value: |
0.0000035117 |
Z-Factor: |
0.338498 |
Fitness Defect: |
12.5594 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 3|G10 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 26.40 Celcius | Date: | 2005-12-23 YYYY-MM-DD | Plate CH Control (+): | 0.038250000000000006±0.00153 | Plate DMSO Control (-): | 0.6041749999999999±0.01688 | Plate Z-Factor: | 0.9058 |
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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 | |
active | Cluster 9315 | Additional Members: 4 | Rows returned: 1 | |
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