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: |
VPH1 |
Replicates: |
2 |
Raw OD Value: r im |
0.4079±0.0295571 |
Normalized OD Score: sc h |
1.0268±0.026645 |
Z-Score: |
0.4928±0.513328 |
p-Value: |
0.644432 |
Z-Factor: |
-6.31491 |
Fitness Defect: |
0.4394 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 9|G2 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 24.50 Celcius | Date: | 2008-03-01 YYYY-MM-DD | Plate CH Control (+): | 0.0399±0.00050 | Plate DMSO Control (-): | 0.373925±0.01825 | Plate Z-Factor: | 0.8487 |
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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 | |
nonactive | Cluster 1751 | Additional Members: 1 | Rows returned: 0 | |
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