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: |
VAM3 |
Replicates: |
2 |
Raw OD Value: r im |
0.6357±0.00346482 |
Normalized OD Score: sc h |
1.0016±0.0000480406 |
Z-Score: |
0.0464±0.000621934 |
p-Value: |
0.962986 |
Z-Factor: |
-13.0914 |
Fitness Defect: |
0.0377 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 22|G6 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 25.10 Celcius | Date: | 2008-04-09 YYYY-MM-DD | Plate CH Control (+): | 0.0402±0.00095 | Plate DMSO Control (-): | 0.625575±0.03403 | Plate Z-Factor: | 0.7567 |
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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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