| Compound Information | SONAR Target prediction | | Name: | RHODINYL ACETATE | | Unique Identifier: | SPE00310030 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 176.127 g/mol | | X log p: | 2.39 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 26.3 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 2 | | Rotatable Bond Count: | 7 | | Canonical Smiles: | CC(CCOC(C)=O)CCC=C(C)C | | Class: | terpene | | Source: | common constituent of plant essential oils |
| Species: |
4932 |
| Condition: |
SUR2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7288±0.00940452 |
| Normalized OD Score: sc h |
1.0144±0.0203386 |
| Z-Score: |
0.7357±1.0404 |
| p-Value: |
0.570598 |
| Z-Factor: |
-7.00097 |
| Fitness Defect: |
0.5611 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 9|G2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.20 Celcius | | Date: | 2008-05-06 YYYY-MM-DD | | Plate CH Control (+): | 0.040325±0.00083 | | Plate DMSO Control (-): | 0.722425±0.02356 | | Plate Z-Factor: | 0.9136 |
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| DBLink | Rows returned: 3 | |
| 9017 |
3,7-dimethyloct-6-enyl acetate |
| 6708682 |
[(3R)-3,7-dimethyloct-6-enyl] acetate |
| 6999975 |
[(3S)-3,7-dimethyloct-6-enyl] acetate |
| internal high similarity DBLink | Rows returned: 2 | |
| active | Cluster 1751 | Additional Members: 1 | Rows returned: 0 | |
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