| Compound Information | SONAR Target prediction | | Name: | SENECRASSIDIOL 6-ACETATE | | Unique Identifier: | SPE00300052 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 252.18 g/mol | | X log p: | -0.508 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 26.3 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 3 | | Rotatable Bond Count: | 2 | | Canonical Smiles: | CC(=O)OC1CCC2(O)CC1(C)CCC1C2CC1(C)C | | Class: | sesquiterpene | | Source: | derivative Senecio crassissimus | | Reference: | Phytochemistry 20: 469 (1981) |
| Species: |
4932 |
| Condition: |
IDH2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5604±0.00254558 |
| Normalized OD Score: sc h |
0.9922±0.00219396 |
| Z-Score: |
-0.3907±0.10035 |
| p-Value: |
0.696752 |
| Z-Factor: |
-10.099 |
| Fitness Defect: |
0.3613 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 3|A8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.80 Celcius | | Date: | 2007-10-19 YYYY-MM-DD | | Plate CH Control (+): | 0.040825±0.00061 | | Plate DMSO Control (-): | 0.56835±0.01498 | | Plate Z-Factor: | 0.9164 |
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| 11776039 |
[(3S,5R)-2-hydroxy-2,3-dimethyl-nonan-5-yl] acetate |
| 11800038 |
[(3S,5R,6S,8S,9S,10R,13R,14S,17R)-3-acetyloxy-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2
,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl] acetate |
| internal high similarity DBLink | Rows returned: 5 | |
| active | Cluster 4651 | Additional Members: 2 | Rows returned: 1 | |
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