| Compound Information | SONAR Target prediction | | Name: | 3-NOR-3-OXOPANASINSAN-6-OL | | Unique Identifier: | SPE00300110 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 200.149 g/mol | | X log p: | -1.167 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 17.07 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 2 | | Rotatable Bond Count: | 0 | | Canonical Smiles: | CC1(C)CC23C1CCC2(C)C(O)CCC3=O | | Class: | sesquiterpene | | Source: | derivative Panax ginseng | | Reference: | Chem Pharm Bull 35: 1975 (1987) |
| Species: |
4932 |
| Condition: |
DBP3 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6956±0.0194454 |
| Normalized OD Score: sc h |
1.0156±0.0228354 |
| Z-Score: |
0.7871±1.15513 |
| p-Value: |
0.542534 |
| Z-Factor: |
-13.8831 |
| Fitness Defect: |
0.6115 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 3|B8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.70 Celcius | | Date: | 2007-09-13 YYYY-MM-DD | | Plate CH Control (+): | 0.03975±0.00036 | | Plate DMSO Control (-): | 0.6728000000000001±0.02674 | | Plate Z-Factor: | 0.8648 |
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ps
pdf |
| 627599 |
6-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dion
e |
| 627689 |
6,17-dihydroxy-10,13-dimethyl-6-pentyl-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenant
hren-3-one |
| 631915 |
n/a |
| 667488 |
(1R,3S)-5-hydroxyadamantan-2-one |
| 1712653 |
(2S,4R,5S)-4-hydroxy-2,5-ditert-butyl-cyclohexan-1-one |
| 2387089 |
1-[(5R,7S)-3-hydroxy-1-adamantyl]ethanone |
| internal high similarity DBLink | Rows returned: 3 | |
| active | Cluster 883 | Additional Members: 1 | Rows returned: 0 | |
|
