| 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: |
TRK1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.4100±0.00183848 |
| Normalized OD Score: sc h |
0.8358±0.00762066 |
| Z-Score: |
-5.0695±0.212179 |
| p-Value: |
0.000000523522 |
| Z-Factor: |
0.321919 |
| Fitness Defect: |
14.4627 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 22|A2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.80 Celcius | | Date: | 2008-03-14 YYYY-MM-DD | | Plate CH Control (+): | 0.039925±0.00066 | | Plate DMSO Control (-): | 0.4719±0.01287 | | Plate Z-Factor: | 0.9033 |
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| 443469 |
(4aS,4bR,7R,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene |
| 519326 |
7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene |
| 535292 |
4,7,7-trimethyl-3-prop-1-en-2-yl-bicyclo[4.1.0]hept-4-ene |
| 535349 |
7,7-dimethyl-2-propan-2-yl-5-prop-1-en-2-yl-bicyclo[4.1.0]hept-3-ene |
| 572323 |
3,7,7-trimethyl-2-prop-1-en-2-yl-bicyclo[4.1.0]hept-3-ene |
| 5153010 |
5,9,9-trimethyl-2-methylidene-bicyclo[6.2.0]dec-4-ene |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 8140 | Additional Members: 2 | Rows returned: 0 | |
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