| Compound Information | SONAR Target prediction | | Name: | CARYOPHYLLENE [t(-)] | | Unique Identifier: | SPE01500842 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 168.15 g/mol | | X log p: | 3.322 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 0 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 0 | | Rotatable Bond Count: | 0 | | Canonical Smiles: | CC1CCC2C(CC2(C)C)C(=C)CC=1 | | Class: | sesquiterpene | | Source: | clove, cinnamon and many other oils |
| Species: |
4932 |
| Condition: |
IDH2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5894±0.00339411 |
| Normalized OD Score: sc h |
1.0126±0.00390403 |
| Z-Score: |
0.6291±0.180183 |
| p-Value: |
0.532594 |
| Z-Factor: |
-7.72125 |
| Fitness Defect: |
0.63 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 6|D2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.60 Celcius | | Date: | 2007-10-19 YYYY-MM-DD | | Plate CH Control (+): | 0.04015±0.00047 | | Plate DMSO Control (-): | 0.577125±0.01741 | | Plate Z-Factor: | 0.8899 |
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ps
pdf |
| 10354 |
1-methyl-3-prop-1-en-2-yl-cyclohexene |
| 41683 |
undeca-1,4-diene |
| 55569 |
5-methyl-3-prop-1-en-2-yl-cyclohexene |
| 90805 |
1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene |
| 138919 |
n/a |
| 138952 |
bicyclo[3.2.2]nona-6,9-diene |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 8140 | Additional Members: 2 | Rows returned: 0 | |
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