| 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: |
APC9 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7072±0.00579828 |
| Normalized OD Score: sc h |
0.9965±0.0155988 |
| Z-Score: |
-0.1978±0.850406 |
| p-Value: |
0.555392 |
| Z-Factor: |
-73.7072 |
| Fitness Defect: |
0.5881 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 3|A8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 21.50 Celcius | | Date: | 2007-11-22 YYYY-MM-DD | | Plate CH Control (+): | 0.04165±0.00070 | | Plate DMSO Control (-): | 0.691225±0.02158 | | Plate Z-Factor: | 0.8986 |
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| 572541 |
[2-(acetyloxymethyl)cyclohexyl]methyl acetate |
| 632701 |
[6-acetyloxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H
-cyclopenta[a]phenanthren-3-yl] acetate |
| 633562 |
[10-(hydroxymethyl)-13-methyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-
1H-cyclopenta[a]phenanthren-2-yl] acetate |
| 932908 |
2-[(1S,2R,4aR,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-decalin-1-yl]ethyl acetate |
| 2825184 |
(4-hydroxy-1-adamantyl) acetate |
| 2825535 |
[6-acetyloxy-5,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H
-cyclopenta[a]phenanthren-3-yl] acetate |
| internal high similarity DBLink | Rows returned: 5 | |
| nonactive | Cluster 4651 | Additional Members: 2 | Rows returned: 1 | |
|
