| Compound Information | SONAR Target prediction | | Name: | GITOXIGENIN | | Unique Identifier: | SPE00100687 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C23H34O5 | | Molecular Weight: | 357.251 g/mol | | X log p: | 0.831 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 26.3 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 5 | | Rotatable Bond Count: | 1 | | Canonical Smiles: | CC12CCC(O)CC1CCC1C2CCC2(C)C(C(O)CC12O)C1COC(=O)C=1 | | Source: | ex Digitalis spp. | | Reference: | Helv Chim Acta 33: 76 (1950) |
| Species: |
4932 |
| Condition: |
APC9 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6939±0.00148492 |
| Normalized OD Score: sc h |
0.9893±0.0088971 |
| Z-Score: |
-0.5835±0.492142 |
| p-Value: |
0.582726 |
| Z-Factor: |
-54.8129 |
| Fitness Defect: |
0.54 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 4|F6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 21.60 Celcius | | Date: | 2007-11-22 YYYY-MM-DD | | Plate CH Control (+): | 0.042025±0.00108 | | Plate DMSO Control (-): | 0.679925±0.04700 | | Plate Z-Factor: | 0.6990 |
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ps
pdf |
| 11012 |
4-[(3S,5R,10S,13R,14S,16S,17S)-3,14,16-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetrad
ecahydrocyclopenta[a]phenanthren-17-yl]-5H-furan-2-one |
| 13993 |
[(3S,5R,10S,13R,14S,16S,17S)-14,16-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,1
1,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate |
| 348482 |
4-[(3S,5R,8R,9S,10S,13R,14S,16S,17S)-3,14,16-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-
tetradecahydrocyclopenta[a]phenanthren-17-yl]-5H-furan-2-one |
| 608933 |
4-(3,14,16-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenant
hren-17-yl)-5H-furan-2-one |
| 5771692 |
4-[(3S,5S,8R,9S,10R,13S,16R,17S)-3,14,16-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetr
adecahydrocyclopenta[a]phenanthren-17-yl]-5H-furan-2-one |
| 6548126 |
4-[(3R,5R,8R,9R,10S,13S,14R,16R,17R)-3,14,16-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-
tetradecahydrocyclopenta[a]phenanthren-17-yl]-5H-furan-2-one |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 1442 | Additional Members: 8 | Rows returned: 0 | |
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