| 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: |
SUR2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7367±0.00346482 |
| Normalized OD Score: sc h |
1.0058±0.00599623 |
| Z-Score: |
0.2954±0.306737 |
| p-Value: |
0.77296 |
| Z-Factor: |
-9.26539 |
| Fitness Defect: |
0.2575 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 9|G7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.20 Celcius | | Date: | 2008-05-06 YYYY-MM-DD | | Plate CH Control (+): | 0.040325±0.00083 | | Plate DMSO Control (-): | 0.722425±0.02356 | | Plate Z-Factor: | 0.9136 |
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ps
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| 6453554 |
(5R,6R,8S,9S,10R,13R,14S,17S)-17-acetyl-6-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetra
decahydrocyclopenta[a]phenanthren-3-one |
| 6543607 |
1-[(1R,2S,4aS,8aR)-2-hydroxy-2,5,5,8a-tetramethyl-decalin-1-yl]propan-2-one |
| 6543697 |
(4aR,8S,8aS)-8-hydroxy-4a,8-dimethyl-decalin-2-one |
| 6543735 |
(3R,5S,8S,9R,10S,13S,14S,17R)-3-hydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,1
6,17-tetradecahydrocyclopenta[a]phenanthren-6-one |
| 6552875 |
(3R,5S,8R,9R,10R,13S,14S,17R)-3-hydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,14,15,16
,17-tetradecahydrocyclopenta[a]phenanthren-12-one |
| 6565929 |
(2R,4S,5S)-4-hydroxy-2,5-ditert-butyl-cyclohexan-1-one |
| internal high similarity DBLink | Rows returned: 3 | |
| active | Cluster 883 | Additional Members: 1 | Rows returned: 0 | |
|
