| Compound Information | SONAR Target prediction | | Name: | FREQUENTIN | | Unique Identifier: | SPE01800170 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C14H20O4 | | Molecular Weight: | 232.147 g/mol | | X log p: | 9.547 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 34.14 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 4 | | Rotatable Bond Count: | 5 | | Canonical Smiles: | CCCC=CC=CC1CC(O)C(O)C(=O)C1C=O | | Source: | ex Penicillium frequentans | | Reference: | Nature 167: 357 (1951); J Chem Soc 1959: 1662 |
| Species: |
4932 |
| Condition: |
SPE00100513 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5432±0.0105359 |
| Normalized OD Score: sc h |
1.0043±0.00926461 |
| Z-Score: |
0.1190±0.260025 |
| p-Value: |
0.855138 |
| Z-Factor: |
-62.5899 |
| Fitness Defect: |
0.1565 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SpectrumTMP | | Plate Number and Position: | 2|H5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 595 nm | | Robot Temperature: | 21.90 Celcius | | Date: | 2006-12-14 YYYY-MM-DD | | Plate CH Control (+): | 0.0377±0.00161 | | Plate DMSO Control (-): | 0.5444249999999999±0.02140 | | Plate Z-Factor: | 0.8481 |
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| DBLink | Rows returned: 4 | |
| 99875 |
6-hepta-1,3-dienyl-3,4-dihydroxy-2-oxo-cyclohexane-1-carbaldehyde |
| 5461035 |
(1R,3R,4R)-6-[(1E,3E)-hepta-1,3-dienyl]-3,4-dihydroxy-2-oxo-cyclohexane-1-carbaldehyde |
| 6036812 |
6-[(1E,3E)-hepta-1,3-dienyl]-3,4-dihydroxy-2-oxo-cyclohexane-1-carbaldehyde |
| 6708655 |
(1R,3R,4R,6S)-6-hepta-1,3-dienyl-3,4-dihydroxy-2-oxo-cyclohexane-1-carbaldehyde |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 220 | Additional Members: 1 | Rows returned: 0 | |
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