| 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: |
IRE1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7102±0.00233345 |
| Normalized OD Score: sc h |
0.9820±0.00122663 |
| Z-Score: |
-0.9693±0.0359846 |
| p-Value: |
0.332574 |
| Z-Factor: |
-4.09996 |
| Fitness Defect: |
1.1009 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 3|A8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.80 Celcius | | Date: | 2007-11-23 YYYY-MM-DD | | Plate CH Control (+): | 0.0401±0.00078 | | Plate DMSO Control (-): | 0.708825±0.01895 | | Plate Z-Factor: | 0.9119 |
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| 271486 |
[6-hydroxy-6,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-c
yclopenta[a]phenanthren-3-yl] acetate |
| 275352 |
[2-(acetyloxymethyl)-3,6-dimethyl-cyclohexyl]methyl acetate |
| 281961 |
[6-(acetyloxymethyl)norbornan-2-yl] acetate |
| 281962 |
(6-hydroxynorbornan-2-yl)methyl acetate |
| 284618 |
[2-(2-acetyloxypropan-2-yl)-5-methyl-cyclopentyl]methyl acetate |
| 288378 |
(7-ethyl-4a-hydroxy-1,4b,7-trimethyl-2,3,4,5,6,8,8a,9,10,10a-decahydrophenanthren-1-yl)methyl acetate |
| internal high similarity DBLink | Rows returned: 5 | |
| active | Cluster 4651 | Additional Members: 2 | Rows returned: 1 | |
|
