| Compound Information | SONAR Target prediction | | Name: | PERSEITOL | | Unique Identifier: | SPE00202130 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 196.071 g/mol | | X log p: | -3.419 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 0 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 7 | | Rotatable Bond Count: | 6 | | Canonical Smiles: | OCC(O)C(O)C(O)C(O)C(O)CO | | Class: | carbohydrate | | Source: | Persia spp. | | Reference: | J Am Chem Soc 61: 339 (1939); Carbohydr Res 150: 35 (1986) |
| Species: |
4932 |
| Condition: |
NAT1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6901±0.00381838 |
| Normalized OD Score: sc h |
0.9824±0.00315115 |
| Z-Score: |
-1.0376±0.153177 |
| p-Value: |
0.302264 |
| Z-Factor: |
-1.8573 |
| Fitness Defect: |
1.1965 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 25|G10 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.50 Celcius | | Date: | 2008-06-26 YYYY-MM-DD | | Plate CH Control (+): | 0.0408±0.00035 | | Plate DMSO Control (-): | 0.6917±0.00923 | | Plate Z-Factor: | 0.9514 |
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ps
pdf |
| 217391 |
n/a |
| 219890 |
octane-1,2,3,4,5,6,7,8-octol |
| 219977 |
heptane-1,2,3,4,5,6-hexol |
| 244581 |
1-methylcyclohexane-1,2,3,4,5,6-hexol |
| 246164 |
(3R,5R,8S,9S,10S,11S,13S,14S,17R)-17-[(1R)-1,2-dihydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14
,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,11,17-triol |
| 246873 |
(3R,5R,8S,9S,10S,11S,13S,14S,17R)-17-[(1S)-1,2-dihydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14
,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,11,17-triol |
| internal high similarity DBLink | Rows returned: 2 | |
| active | Cluster 2846 | Additional Members: 7 | Rows returned: 0 | |
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