| Compound Information | SONAR Target prediction | | Name: | 15-NORCARYOPHYLLEN-3-ONE | | Unique Identifier: | SPE00300166 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C14H22O | | Molecular Weight: | 184.149 g/mol | | X log p: | 2.29 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 17.07 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 1 | | Rotatable Bond Count: | 0 | | Canonical Smiles: | CC1CCC2C(CC2(C)C)C(=O)CCC=1 | | Source: | derivative |
| Species: |
4932 |
| Condition: |
MCK1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6300±0.0101823 |
| Normalized OD Score: sc h |
1.0347±0.0276989 |
| Z-Score: |
1.4321±1.06347 |
| p-Value: |
0.262696 |
| Z-Factor: |
-4.02383 |
| Fitness Defect: |
1.3368 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 3|C8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.70 Celcius | | Date: | 2007-11-13 YYYY-MM-DD | | Plate CH Control (+): | 0.03995±0.00271 | | Plate DMSO Control (-): | 0.597225±0.02547 | | Plate Z-Factor: | 0.8450 |
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ps
pdf |
| 3257327 |
3-acetyl-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one |
| 3513364 |
10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthre
n-3-one |
| 3737903 |
2-(6-methylhept-2-enyl)cyclohexan-1-one |
| 4033896 |
6,10,10-trimethylbicyclo[7.2.0]undec-5-en-2-one |
| 4087237 |
17-acetyl-10,13-dimethyl-1,2,4,5,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
| 4355207 |
2-[6-methyl-3-(3-methylbutyl)hept-2-enyl]cyclohexan-1-one |
| internal high similarity DBLink | Rows returned: 4 | |
| active | Cluster 8140 | Additional Members: 2 | Rows returned: 1 | |
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