| Compound Information | SONAR Target prediction | | Name: | ORSELLINIC ACID | | Unique Identifier: | SPE00300001 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 160.083 g/mol | | X log p: | 3.494 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 17.07 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 4 | | Rotatable Bond Count: | 1 | | Canonical Smiles: | Cc1cc(O)cc(O)c1C(O)=O | | Class: | aromatic | | Source: | common lichen constituent |
| Species: |
4932 |
| Condition: |
NAT1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7213±0.000777817 |
| Normalized OD Score: sc h |
1.0171±0.00239156 |
| Z-Score: |
1.0264±0.17358 |
| p-Value: |
0.308358 |
| Z-Factor: |
-2.34149 |
| Fitness Defect: |
1.1765 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 13|C3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.50 Celcius | | Date: | 2008-06-26 YYYY-MM-DD | | Plate CH Control (+): | 0.040125±0.00035 | | Plate DMSO Control (-): | 0.70245±0.01081 | | Plate Z-Factor: | 0.9481 |
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| DBLink | Rows returned: 2 | |
| 68072 |
2,4-dihydroxy-6-methyl-benzoic acid |
| 5460334 |
2,4-dihydroxy-6-methyl-benzoate |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 13178 | Additional Members: 8 | Rows returned: 3 | |
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