| Compound Information | SONAR Target prediction | | Name: | ADONITOL | | Unique Identifier: | SPE00310002 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 143.074 g/mol | | X log p: | -2.95 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 0 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 5 | | Rotatable Bond Count: | 4 | | Canonical Smiles: | OCC(O)C(O)C(O)CO | | Class: | carbohydrate | | Source: | Adonis spp | | Reference: | Pharm Acta Helv 23: 153 (1948); JACS 104: 1109 (1982); J Chem Soc 1983: 1553 | | Generic_name: | D-XYLITOL | | Chemical_iupac_name: | D-XYLITOL | | Drug_type: | Experimental | | Drugbank_id: | EXPT03268 | | Drug_category: | 32.1 Kda Protein In Adh3-Rca1 Intergenic inhibitor | | Organisms_affected: | -1 |
| Species: |
4932 |
| Condition: |
MKK1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.8555±0.000707107 |
| Normalized OD Score: sc h |
1.0501±0.0100111 |
| Z-Score: |
1.4395±0.365441 |
| p-Value: |
0.163537 |
| Z-Factor: |
-1.01788 |
| Fitness Defect: |
1.8107 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum_ED | | Plate Number and Position: | 17|F7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 595 nm | | Robot Temperature: | 30.00 Celcius | | Date: | 2010-08-10 YYYY-MM-DD | | Plate CH Control (+): | 0.093±0.00647 | | Plate DMSO Control (-): | 0.96175±0.02205 | | Plate Z-Factor: | 0.8965 |
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| 827 |
pentane-1,2,3,4,5-pentol |
| 6912 |
(2R,4S)-pentane-1,2,3,4,5-pentol |
| 92530 |
cyclopentane-1,2,3-triol |
| 94154 |
(2R,4R)-pentane-1,2,3,4,5-pentol |
| 249377 |
pentane-1,2,3,5-tetrol |
| 333900 |
2,4-dimethylpentane-1,2,4,5-tetrol |
| internal high similarity DBLink | Rows returned: 1 | |
| nonactive | Cluster 2846 | Additional Members: 7 | Rows returned: 5 | |
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