| 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: |
ATP4 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6399±0.0103945 |
| Normalized OD Score: sc h |
1.0039±0.00232814 |
| Z-Score: |
0.1381±0.0809773 |
| p-Value: |
0.890378 |
| Z-Factor: |
-27.9078 |
| Fitness Defect: |
0.1161 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 13|C11 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.70 Celcius | | Date: | 2008-03-06 YYYY-MM-DD | | Plate CH Control (+): | 0.039925±0.00060 | | Plate DMSO Control (-): | 0.6105±0.02751 | | Plate Z-Factor: | 0.8306 |
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ps
pdf |
| 3012232 |
n/a |
| 3012237 |
n/a |
| 3114290 |
2-(2-hydroxy-2,5,5,8a-tetramethyl-decalin-1-yl)ethyl acetate |
| 3357790 |
(6,16-diacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenan
thren-3-yl) acetate |
| 3357794 |
(11,17-diacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phena
nthren-3-yl) acetate |
| 3357795 |
(17-acetyloxy-11-hydroxy-10,11,13-trimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]
phenanthren-3-yl) acetate |
| internal high similarity DBLink | Rows returned: 5 | |
| active | Cluster 4651 | Additional Members: 2 | Rows returned: 1 | |
|
