Compound Information | SONAR Target prediction | Name: | LANATOSIDE C | Unique Identifier: | SPE01501205 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 908.512 g/mol | X log p: | 0.014000000000001 (online calculus) | Lipinksi Failures | 2 | TPSA | 126.44 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 20 | Rotatable Bond Count: | 12 | Canonical Smiles: | CC1OC(CC(O)C1OC1CC(O)C(OC2CC(OC(C)=O)C(OC3OC(CO)C(O)C(O)C3O)C(C)O2)C(C )O1)OC1CCC2(C)C(CCC3C2CC(O)C2(C)C(CCC32O)C2COC(=O)C=2)C1 | Source: | cardiotonc Digitalis lanata | Reference: | Helv Chim Acta 35: 1318 (1952) | Therapeutics: | cardiotonic |
Species: |
4932 |
Condition: |
BCK1 |
Replicates: |
2 |
Raw OD Value: r im |
0.8880±0.0243952 |
Normalized OD Score: sc h |
0.9919±0.0023914 |
Z-Score: |
0.0190±0.047069 |
p-Value: |
0.973454 |
Z-Factor: |
-489.329 |
Fitness Defect: |
0.0269 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum_ED | Plate Number and Position: | 1|A5 | Drug Concentration: | 50.00 nM | OD Absorbance: | 595 nm | Robot Temperature: | 30.00 Celcius | Date: | 2010-08-10 YYYY-MM-DD | Plate CH Control (+): | 0.10149999999999999±0.00652 | Plate DMSO Control (-): | 0.9764999999999998±0.01278 | Plate Z-Factor: | 0.9338 |
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158042 |
[2-[[14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydroc yclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxy methyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-oxan-3-yl] acetate |
317829 |
[5-hydroxy-6-[[14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetra decahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-2-methyl-oxan-3-yl] acetate |
407582 |
[6-[4-hydroxy-6-[4-hydroxy-6-[[14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,1 2,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyl-oxan-3-yl]oxy-2-methyl-oxan-3-yl]ox y-2-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-4-yl] acetate |
656630 |
[(2R,3R,4S,6S)-6-[(2R,3R,4S,6S)-6-[(2R,3R,4S,6S)-6-[[(3S,5R,8R,9S,10S,12R,13S,14S,17S)-12,14-dihydroxy-1 0,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phena nthren-3-yl]oxy]-4-hydroxy-2-methyl-oxan-3-yl]oxy-4-hydroxy-2-methyl-oxan-3-yl]oxy-2-methyl-3-[(2S,3R,4S ,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-4-yl] acetate |
3037134 |
n/a |
3084073 |
[(2R,3R,4S)-6-[(2R,3R,4S)-4-hydroxy-6-[(2R,3R,4S)-4-hydroxy-6-[[(3S,9S,10S,13R,17S)-14-hydroxy-10,13-dim ethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3 -yl]oxy]-2-methyl-oxan-3-yl]oxy-2-methyl-oxan-3-yl]oxy-2-methyl-3-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hyd roxymethyl)oxan-2-yl]oxy-oxan-4-yl] acetate |
internal high similarity DBLink | Rows returned: 7 | 1 2 Next >> |
active | Cluster 15011 | Additional Members: 2 | Rows returned: 0 | |
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