| Compound Information | SONAR Target prediction | | Name: | 3-METHYLORSELLINIC ACID | | Unique Identifier: | SPE00200640 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 172.094 g/mol | | X log p: | 1.471 (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)c(C)c(O)c1C(O)=O | | Class: | aromatic | | Source: | Aspergillus terreus | | Reference: | Helv Chim Acta 11: 864 (1928) |
| Species: |
4932 |
| Condition: |
IRE1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.8145±0.00586899 |
| Normalized OD Score: sc h |
1.0047±0.0033041 |
| Z-Score: |
-0.4027±0.190092 |
| p-Value: |
0.689838 |
| Z-Factor: |
-14.421 |
| Fitness Defect: |
0.3713 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum_ED | | Plate Number and Position: | 15|F6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 595 nm | | Robot Temperature: | 30.00 Celcius | | Date: | 2010-08-10 YYYY-MM-DD | | Plate CH Control (+): | 0.09950000000000002±0.00698 | | Plate DMSO Control (-): | 0.94575±0.01640 | | Plate Z-Factor: | 0.9371 |
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| DBLink | Rows returned: 2 | |
| 736228 |
2,4-dihydroxy-3,6-dimethyl-benzoic acid |
| 6931532 |
2,4-dihydroxy-3,6-dimethyl-benzoate |
| internal high similarity DBLink | Rows returned: 1 | |
| active | Cluster 3139 | Additional Members: 3 | Rows returned: 2 | |
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