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: |
CIN8 |
Replicates: |
2 |
Raw OD Value: r im |
0.6536±0.0190212 |
Normalized OD Score: sc h |
0.9847±0.0216842 |
Z-Score: |
-0.6691±1.17279 |
p-Value: |
0.503372 |
Z-Factor: |
-5.87248 |
Fitness Defect: |
0.6864 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 12|G4 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 22.70 Celcius | Date: | 2008-02-06 YYYY-MM-DD | Plate CH Control (+): | 0.041100000000000005±0.00068 | Plate DMSO Control (-): | 0.647325±0.01853 | Plate Z-Factor: | 0.8923 |
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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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