| Compound Information | SONAR Target prediction | | Name: | IRIGINOL HEXAACEATATE | | Unique Identifier: | SPE00211012 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 548.281 g/mol | | X log p: | 8.227 (online calculus) | | Lipinksi Failures | 3 | | TPSA | 184.1 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 14 | | Rotatable Bond Count: | 13 | | Canonical Smiles: | CC(=O)Oc1cc2OC=C(C(=O)c2c(OC(C)=O)c1OC(C)=O)c1cc(OC(C)=O)c(OC(C)=O)c(O
C(C)=O)c1 | | Class: | isoflavone | | Source: | semisynthetic |
| Species: |
4932 |
| Condition: |
CCR4 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5334±0.0154149 |
| Normalized OD Score: sc h |
0.8103±0.0415393 |
| Z-Score: |
-8.0979±1.83381 |
| p-Value: |
0.00000000000518796 |
| Z-Factor: |
-0.197839 |
| Fitness Defect: |
25.9847 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 11|G3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 28.80 Celcius | | Date: | 2008-04-16 YYYY-MM-DD | | Plate CH Control (+): | 0.041575±0.00056 | | Plate DMSO Control (-): | 0.62285±0.02032 | | Plate Z-Factor: | 0.8887 |
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| DBLink | Rows returned: 1 | |
| 3505890 |
[5,7-diacetyloxy-4-oxo-3-(3,4,5-triacetyloxyphenyl)chromen-6-yl] acetate |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 1426 | Additional Members: 2 | Rows returned: 0 | |
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