| Compound Information | SONAR Target prediction | | Name: | IRIGENIN TRIMETHYL ETHER | | Unique Identifier: | SPE00200873 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 380.22 g/mol | | X log p: | 10.801 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 81.68 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 8 | | Rotatable Bond Count: | 7 | | Canonical Smiles: | COc1cc2OC=C(C(=O)c2c(OC)c1OC)c1cc(OC)c(OC)c(OC)c1 | | Class: | isoflavone | | Source: | derivative | | Reference: | Prog Chem Org Nat Prod 43: 1 (1983) |
| Species: |
4932 |
| Condition: |
IDH2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5694±0.0118794 |
| Normalized OD Score: sc h |
0.9926±0.016877 |
| Z-Score: |
-0.3618±0.836606 |
| p-Value: |
0.579332 |
| Z-Factor: |
-16.7225 |
| Fitness Defect: |
0.5459 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 3|H4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.80 Celcius | | Date: | 2007-10-19 YYYY-MM-DD | | Plate CH Control (+): | 0.040825±0.00061 | | Plate DMSO Control (-): | 0.56835±0.01498 | | Plate Z-Factor: | 0.9164 |
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| DBLink | Rows returned: 1 | |
| 4303569 |
5,6,7-trimethoxy-3-(3,4,5-trimethoxyphenyl)chromen-4-one |
| internal high similarity DBLink | Rows returned: 4 | |
| active | Cluster 1426 | Additional Members: 2 | Rows returned: 1 | |
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