| Compound Information | SONAR Target prediction | | Name: | EVERNINIC ACID | | Unique Identifier: | SPE00201727 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 176.083 g/mol | | X log p: | 3.852 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 26.3 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 5 | | Rotatable Bond Count: | 2 | | Canonical Smiles: | COc1cc(O)c(C(O)=O)c(O)c1 | | Class: | aromatic | | Source: | oak moss lichen | | Reference: | Ber 56: 2556 (1923); JACS 88: 2053 (1966); Tetrahedron 24: 2707 (1968); J Chem Soc
1984: 1035,1043 |
| Species: |
4932 |
| Condition: |
KEM1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5647±0.0100409 |
| Normalized OD Score: sc h |
0.9971±0.00520002 |
| Z-Score: |
-0.1253±0.227465 |
| p-Value: |
0.87321 |
| Z-Factor: |
-22.6231 |
| Fitness Defect: |
0.1356 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 25|B2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.40 Celcius | | Date: | 2008-05-08 YYYY-MM-DD | | Plate CH Control (+): | 0.041175±0.00058 | | Plate DMSO Control (-): | 0.56865±0.01718 | | Plate Z-Factor: | 0.9064 |
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ps
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| DBLink | Rows returned: 4 | |
| 75231 |
2-hydroxy-4-methoxy-benzoic acid |
| 117647 |
sodium 2-hydroxy-4-methoxy-benzoate |
| 6708611 |
2,6-dihydroxy-4-methoxy-benzoic acid |
| 6932765 |
2-hydroxy-4-methoxy-benzoate |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 9714 | Additional Members: 6 | Rows returned: 4 | |
|
