| Compound Information | SONAR Target prediction | | Name: | SARMENTOGENIN | | Unique Identifier: | SPE00100682 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C23H34O5 | | Molecular Weight: | 357.251 g/mol | | X log p: | 0.619999999999999 (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)CC1CCC1C2C(O)CC2(C)C(CCC12O)C1COC(=O)C=1 | | Source: | mp 270; aglucone of sarmentocymarin Strophanthus sarmentosus | | Reference: | J Chem Soc 1952: 2299 |
| Species: |
4932 |
| Condition: |
APC9 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7049±0.00799031 |
| Normalized OD Score: sc h |
0.9941±0.00878023 |
| Z-Score: |
-0.3238±0.481878 |
| p-Value: |
0.746416 |
| Z-Factor: |
-29.3905 |
| Fitness Defect: |
0.2925 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 2|F3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 21.40 Celcius | | Date: | 2007-11-22 YYYY-MM-DD | | Plate CH Control (+): | 0.0412±0.00025 | | Plate DMSO Control (-): | 0.69275±0.12390 | | Plate Z-Factor: | 0.4147 |
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| DBLink | Rows returned: 6 | |
| 6437 |
4-[(3S,5R,8R,9S,10S,11R,13R,14S,17S)-3,11,14-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 |
| 10054 |
4-[(3R,5R,10S,11R,13R,14S,17S)-3,11,14-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 |
| 59295 |
4-[(3S,5R,10R,13R,14S,17S)-3,6,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahy
drocyclopenta[a]phenanthren-17-yl]-5H-furan-2-one |
| 159020 |
4-[(3S,5R,8R,9S,10R,11R,13R,17S)-3,11,14-trihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12
,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5H-furan-2-one |
| 3944478 |
4-(3,11,14-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 |
| 6708600 |
4-[(11R)-3,11,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]p
henanthren-17-yl]-5H-furan-2-one |
| internal high similarity DBLink | Rows returned: 1 | |
| active | Cluster 1442 | Additional Members: 8 | Rows returned: 0 | |
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