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: |
HXK2 |
Replicates: |
2 |
Raw OD Value: r im |
0.7610±0.01492 |
Normalized OD Score: sc h |
0.9888±0.0121578 |
Z-Score: |
-0.5094±0.550429 |
p-Value: |
0.636598 |
Z-Factor: |
-12.4916 |
Fitness Defect: |
0.4516 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 25|G10 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 23.40 Celcius | Date: | 2008-03-05 YYYY-MM-DD | Plate CH Control (+): | 0.040825±0.00029 | Plate DMSO Control (-): | 0.7527±0.01479 | Plate Z-Factor: | 0.9350 |
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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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