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: |
NPR1 |
Replicates: |
2 |
Raw OD Value: r im |
1.0212±0.000636396 |
Normalized OD Score: sc h |
0.9730±0.00588689 |
Z-Score: |
0.5355±0.0328479 |
p-Value: |
0.592418 |
Z-Factor: |
-5.78523 |
Fitness Defect: |
0.5235 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum_ED | Plate Number and Position: | 21|G2 | Drug Concentration: | 50.00 nM | OD Absorbance: | 595 nm | Robot Temperature: | 30.00 Celcius | Date: | 2012-09-18 YYYY-MM-DD | Plate CH Control (+): | 0.0012000000000000001±0.00137 | Plate DMSO Control (-): | 1.00785±0.03797 | Plate Z-Factor: | 0.8705 |
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6566106 |
(3S,5R,8R,9S,10S,13S,14R,17S)-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 |
6595834 |
n/a |
6708589 |
1-[(3R,12S)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta [a]phenanthren-17-yl]ethanone |
6710665 |
(3S,5S,10R,13R)-3-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetr adecahydrocyclopenta[a]phenanthren-6-one |
6918983 |
(1S,3S)-5-hydroxyadamantan-2-one |
6932888 |
(1R,3R)-5-hydroxyadamantan-2-one |
internal high similarity DBLink | Rows returned: 3 | |
active | Cluster 883 | Additional Members: 1 | Rows returned: 0 | |
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