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: |
KAR3 |
Replicates: |
2 |
Raw OD Value: r im |
0.6645±0.0181726 |
Normalized OD Score: sc h |
0.9933±0.0122639 |
Z-Score: |
-0.3226±0.581463 |
p-Value: |
0.696266 |
Z-Factor: |
-39.0796 |
Fitness Defect: |
0.362 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 3|F10 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 27.30 Celcius | Date: | 2007-09-06 YYYY-MM-DD | Plate CH Control (+): | 0.0409±0.00039 | Plate DMSO Control (-): | 0.6495249999999999±0.02589 | Plate Z-Factor: | 0.8596 |
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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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