| Compound Information | SONAR Target prediction | | Name: | JUGLONE | | Unique Identifier: | SPE00300038 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 168.105 g/mol | | X log p: | 9.674 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 34.14 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 3 | | Rotatable Bond Count: | 0 | | Canonical Smiles: | Oc1cccc2c(=O)ccc(=O)c12 | | Class: | quinone | | Source: | leaves and nuts of Juglans spp., Carya spp and Pterocarya spp. | | Therapeutics: | antineoplastic, antifungal |
| Species: |
4932 |
| Condition: |
PFK2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.4076±0.0183848 |
| Normalized OD Score: sc h |
0.9103±0.0182987 |
| Z-Score: |
-2.8844±0.620277 |
| p-Value: |
0.0076708 |
| Z-Factor: |
-1.19441 |
| Fitness Defect: |
4.8703 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 7|A3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.90 Celcius | | Date: | 2008-05-10 YYYY-MM-DD | | Plate CH Control (+): | 0.0406±0.00087 | | Plate DMSO Control (-): | 0.4508±0.02235 | | Plate Z-Factor: | 0.8132 |
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ps
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| DBLink | Rows returned: 1 | |
| 3806 |
5-hydroxynaphthalene-1,4-dione |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 7565 | Additional Members: 10 | Rows returned: 5 | |
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