| Compound Information | SONAR Target prediction | | Name: | IRIGENOL | | Unique Identifier: | SPE00201182 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 308.156 g/mol | | X log p: | 10.399 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 26.3 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 8 | | Rotatable Bond Count: | 1 | | Canonical Smiles: | Oc1cc2OC=C(C(=O)c2c(O)c1O)c1cc(O)c(O)c(O)c1 | | Class: | isoflavone | | Source: | Iris spp |
| Species: |
4932 |
| Condition: |
SSE1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.4145±0.0349311 |
| Normalized OD Score: sc h |
0.9100±0.0390845 |
| Z-Score: |
-2.3951±0.900141 |
| p-Value: |
0.040535 |
| Z-Factor: |
-2.40605 |
| Fitness Defect: |
3.2056 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 24|C11 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.10 Celcius | | Date: | 2008-05-01 YYYY-MM-DD | | Plate CH Control (+): | 0.041374999999999995±0.00082 | | Plate DMSO Control (-): | 0.427875±0.01969 | | Plate Z-Factor: | 0.8372 |
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| DBLink | Rows returned: 1 | |
| 5781144 |
5,6,7-trihydroxy-3-(3,4,5-trihydroxyphenyl)chromen-4-one |
| internal high similarity DBLink | Rows returned: 7 | 1 2 Next >> |
| active | Cluster 3206 | Additional Members: 1 | Rows returned: 0 | |
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