| 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: |
MDH1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7595±0.0468812 |
| Normalized OD Score: sc h |
0.9967±0.0255949 |
| Z-Score: |
-0.2717±1.49124 |
| p-Value: |
0.309278 |
| Z-Factor: |
-36.6125 |
| Fitness Defect: |
1.1735 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 3|G7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.00 Celcius | | Date: | 2007-08-07 YYYY-MM-DD | | Plate CH Control (+): | 0.040150000000000005±0.00041 | | Plate DMSO Control (-): | 0.746675±0.02229 | | Plate Z-Factor: | 0.9287 |
|  png
ps
pdf |
| 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 | |
| nonactive | Cluster 3139 | Additional Members: 3 | Rows returned: 2 | |
|
