| 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: |
TOP1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.3141±0.00961665 |
| Normalized OD Score: sc h |
1.0987±0.0208502 |
| Z-Score: |
0.8529±0.127659 |
| p-Value: |
0.395624 |
| Z-Factor: |
-1.34342 |
| Fitness Defect: |
0.9273 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 3|C8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.40 Celcius | | Date: | 2006-04-25 YYYY-MM-DD | | Plate CH Control (+): | 0.039575±0.00152 | | Plate DMSO Control (-): | 0.33492500000000003±0.02042 | | Plate Z-Factor: | 0.7685 |
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ps
pdf |
| 118112 |
3-(7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)-2,2-dimethyl-propanal |
| 213490 |
(8S,9R,10S,13R,14S,17S)-17-acetyl-10,13-dimethyl-1,2,4,5,6,7,8,9,14,15,16,17-dodecahydrocyclopenta[a]phe
nanthren-3-one |
| 244126 |
17-acetyl-10,13-dimethyl-1,2,4,5,6,7,8,9,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
| 297183 |
bicyclo[3.2.0]hept-3-en-7-one |
| 519382 |
4-(2,6,6-trimethyl-1-cyclohexenyl)butan-2-one |
| 546342 |
3-methyl-4-(2,6,6-trimethyl-1-cyclohexenyl)butan-2-one |
| internal high similarity DBLink | Rows returned: 4 | |
| active | Cluster 8140 | Additional Members: 2 | Rows returned: 1 | |
|
