| Compound Information | SONAR Target prediction | | Name: | XANTHOXYLIN | | Unique Identifier: | SPE00200441 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 184.105 g/mol | | X log p: | 5.11 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 35.53 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 4 | | Rotatable Bond Count: | 3 | | Canonical Smiles: | COc1cc(O)c(C(C)=O)c(OC)c1 | | Class: | aromatic | | Source: | Xanthoxylium spp, Artemisia brevifolia |
| Species: |
4932 |
| Condition: |
CCR4 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6621±0.0268701 |
| Normalized OD Score: sc h |
1.0119±0.0220079 |
| Z-Score: |
0.5069±0.939066 |
| p-Value: |
0.558388 |
| Z-Factor: |
-27.2626 |
| Fitness Defect: |
0.5827 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 16|C7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 28.90 Celcius | | Date: | 2008-04-16 YYYY-MM-DD | | Plate CH Control (+): | 0.0422±0.00080 | | Plate DMSO Control (-): | 0.625425±0.02091 | | Plate Z-Factor: | 0.8753 |
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ps
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| DBLink | Rows returned: 3 | |
| 66654 |
1-(2-hydroxy-4,6-dimethoxy-phenyl)ethanone |
| 70016 |
1-(2,4-dimethoxyphenyl)ethanone |
| 123089 |
1-(2,4,6-trimethoxyphenyl)ethanone |
| internal high similarity DBLink | Rows returned: 1 | |
| active | Cluster 9714 | Additional Members: 6 | Rows returned: 4 | |
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