| Compound Information | SONAR Target prediction | | Name: | DIFFRACTAIC ACID | | Unique Identifier: | SPE01504118 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 352.21 g/mol | | X log p: | 4.4 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 61.83 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 7 | | Rotatable Bond Count: | 6 | | Canonical Smiles: | COc1cc(C)c(C(=O)Oc2cc(C)c(C(O)=O)c(O)c2C)c(OC)c1C | | Class: | depside | | Source: | Usnea spp | | Reference: | Chem Ber 65: 175, 1668 (1932) |
| Species: |
4932 |
| Condition: |
TRK1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.4229±0.010748 |
| Normalized OD Score: sc h |
0.8675±0.00251038 |
| Z-Score: |
-4.0940±0.0952662 |
| p-Value: |
0.0000441088 |
| Z-Factor: |
0.271967 |
| Fitness Defect: |
10.0289 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 22|G6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.80 Celcius | | Date: | 2008-03-14 YYYY-MM-DD | | Plate CH Control (+): | 0.039925±0.00066 | | Plate DMSO Control (-): | 0.4719±0.01287 | | Plate Z-Factor: | 0.9033 |
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| DBLink | Rows returned: 6 | |
| 94870 |
4-(2,4-dimethoxy-3,6-dimethyl-benzoyl)oxy-2-hydroxy-3,6-dimethyl-benzoic acid |
| 135219 |
4-[4-(2,4-dihydroxy-3,5,6-trimethyl-benzoyl)oxy-2-methoxy-3,5,6-trimethyl-benzoyl]oxy-2-methoxy-3,5,6-tr
imethyl-benzoic acid |
| 155686 |
4-[4-(2,4-dihydroxy-3,6-dimethyl-benzoyl)oxy-2-methoxy-3,5,6-trimethyl-benzoyl]oxy-2-methoxy-3,5,6-trime
thyl-benzoic acid |
| 157810 |
4-[2-hydroxy-4-(4-hydroxy-2-methoxy-3,5,6-trimethyl-benzoyl)oxy-3,5,6-trimethyl-benzoyl]oxy-2-methoxy-3,
5,6-trimethyl-benzoic acid |
| 371612 |
(3-methoxy-2,5,6-trimethyl-phenyl) 2,4-dimethoxy-3,5,6-trimethyl-benzoate |
| 1551040 |
4-(2,4-dimethoxy-3,6-dimethyl-benzoyl)oxy-2-hydroxy-3,6-dimethyl-benzoate |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 2021 | Additional Members: 2 | Rows returned: 1 | |
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