| 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: |
SUR2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7266±0.00176777 |
| Normalized OD Score: sc h |
1.0150±0.00378256 |
| Z-Score: |
0.7549±0.178802 |
| p-Value: |
0.453914 |
| Z-Factor: |
-4.56026 |
| Fitness Defect: |
0.7898 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 13|C11 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.50 Celcius | | Date: | 2008-05-06 YYYY-MM-DD | | Plate CH Control (+): | 0.040575±0.00080 | | Plate DMSO Control (-): | 0.7017±0.01753 | | Plate Z-Factor: | 0.9350 |
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| 6932729 |
[(5S,7R)-3-(2-acetyloxypropan-2-yl)-1-adamantyl] acetate |
| 6934639 |
[(3S,5R)-4-hydroxy-1-adamantyl] acetate |
| 6948418 |
2-[(1R,2R,4aR,8aR)-2-hydroxy-2,5,5,8a-tetramethyl-decalin-1-yl]ethyl acetate |
| 7082576 |
2-[(1R,2R,4aR,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-decalin-1-yl]ethyl acetate |
| 7082577 |
2-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-decalin-1-yl]ethyl acetate |
| 7343267 |
2-[(1S,2R,4aR,8aR)-2-hydroxy-2,5,5,8a-tetramethyl-decalin-1-yl]ethyl acetate |
| internal high similarity DBLink | Rows returned: 5 | |
| active | Cluster 4651 | Additional Members: 2 | Rows returned: 1 | |
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