| Compound Information | SONAR Target prediction | | Name: | STROPHANTHIDIN | | Unique Identifier: | SPE00100291 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 372.242 g/mol | | X log p: | 1.746 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 43.37 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 6 | | Rotatable Bond Count: | 2 | | Canonical Smiles: | CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1COC(=O)C=1 | | Class: | sterol | | Source: | Strophanthus kombe | | Reference: | J Soc Chem Ind 53: 956 (1934) | | Therapeutics: | cardiotonic |
| Species: |
4932 |
| Condition: |
FAA2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6208±0.0220617 |
| Normalized OD Score: sc h |
0.9218±0.0302629 |
| Z-Score: |
-4.2419±1.33989 |
| p-Value: |
0.000493184 |
| Z-Factor: |
-0.688198 |
| Fitness Defect: |
7.6146 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 12|A9 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.50 Celcius | | Date: | 2008-05-27 YYYY-MM-DD | | Plate CH Control (+): | 0.040525000000000005±0.00157 | | Plate DMSO Control (-): | 0.659±0.00985 | | Plate Z-Factor: | 0.9337 |
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ps
pdf |
| 5303 |
3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclope
nta[a]phenanthrene-10-carbaldehyde |
| 6185 |
(3S,5S,8R,9S,10S,13R,14S,17S)-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,1
5,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde |
| 12953 |
(3S,5S,10S,12R,13S,14S,17S)-3,5,12,14-tetrahydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,1
2,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde |
| 120703 |
(3S,5S,8R,9S,10S,13R,14S,17S)-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,1
5,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carboxylic acid |
| 3558488 |
3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclope
nta[a]phenanthrene-10-carboxylic acid |
| 3734238 |
3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclope
nta[a]phenanthrene-10-carboxylate |
| internal high similarity DBLink | Rows returned: 1 | |
| active | Cluster 12609 | Additional Members: 16 | Rows returned: 3 | |
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