| Compound Information | SONAR Target prediction | | Name: | HUMULENE (alpha) | | Unique Identifier: | SPE01501210 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 180.161 g/mol | | X log p: | 8.455 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 0 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 0 | | Rotatable Bond Count: | 0 | | Canonical Smiles: | CC1CCC=C(C)CC=CC(C)(C)CC=1 | | Class: | sesquiterpene | | Source: | hops and clove oils | | Reference: | JACS 99: 3864 (1977); J Chem Soc 1980: 311 |
| Species: |
4932 |
| Condition: |
MT2481-pdr1pdr3-2nd |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5250±0.00275772 |
| Normalized OD Score: sc h |
0.9540±0.00791811 |
| Z-Score: |
-2.0287±0.450273 |
| p-Value: |
0.0530628 |
| Z-Factor: |
-21.4334 |
| Fitness Defect: |
2.9363 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 12|G4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.00 Celcius | | Date: | 2008-08-22 YYYY-MM-DD | | Plate CH Control (+): | 0.040775±0.00084 | | Plate DMSO Control (-): | 0.5461750000000001±0.01699 | | Plate Z-Factor: | 0.9005 |
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| 23204 |
2,6,6,9-tetramethylcycloundeca-1,4,8-triene |
| 328948 |
2,6,6,9,13-pentamethylcyclopentadeca-1,4,8,12-tetraene |
| 5281520 |
(1Z,4E,8Z)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene |
| 5318101 |
(1Z,4E,8Z)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene |
| 5320698 |
(1Z,4E,7Z)-1,7-dimethylcyclodeca-1,4,7-triene |
| 5367625 |
(2Z,5E,9E)-3,12-diethyltetradeca-2,5,9-triene |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 1210 | Additional Members: 1 | Rows returned: 0 | |
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