| 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: |
SUR2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7387±0.00480833 |
| Normalized OD Score: sc h |
1.0079±0.00780441 |
| Z-Score: |
0.4033±0.400245 |
| p-Value: |
0.69838 |
| Z-Factor: |
-8.04752 |
| Fitness Defect: |
0.359 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 9|F7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.20 Celcius | | Date: | 2008-05-06 YYYY-MM-DD | | Plate CH Control (+): | 0.040325±0.00083 | | Plate DMSO Control (-): | 0.722425±0.02356 | | Plate Z-Factor: | 0.9136 |
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| 439255 |
(2S,4S)-pentane-1,2,3,4,5-pentol |
| 449180 |
(4R)-pentane-1,2,3,4,5-pentol |
| 544741 |
cyclopentane-1,2,4-triol |
| 552295 |
cyclopentane-1,2,3,4,5-pentol |
| 552302 |
cyclopentane-1,2,3,4-tetrol |
| internal high similarity DBLink | Rows returned: 1 | |
| active | Cluster 2846 | Additional Members: 7 | Rows returned: 0 | |
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