Compound Information | SONAR Target prediction | Name: | 18alpha-GLYCYRRHETINIC ACID | Unique Identifier: | SPE01500989 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 425.327 g/mol | X log p: | -0.225 (online calculus) | Lipinksi Failures | 0 | TPSA | 34.14 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 4 | Rotatable Bond Count: | 1 | Canonical Smiles: | CC1(C)C(O)CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC(C)(CCC3(C)CCC21C)C(O)=O | Class: | triterpene | Source: | epimer of aglycone Glycyrrhiza glabra | Therapeutics: | antiinflammatory |
Species: |
4932 |
Condition: |
QCR8 |
Replicates: |
2 |
Raw OD Value: r im |
0.5554±0.0192333 |
Normalized OD Score: sc h |
0.8447±0.00863372 |
Z-Score: |
-6.4246±0.353195 |
p-Value: |
0.000000000343458 |
Z-Factor: |
-0.0902395 |
Fitness Defect: |
21.792 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 14|B10 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 25.80 Celcius | Date: | 2008-04-25 YYYY-MM-DD | Plate CH Control (+): | 0.039650000000000005±0.00062 | Plate DMSO Control (-): | 0.633475±0.03065 | Plate Z-Factor: | 0.8419 |
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7067788 |
(2S,4aR,6aS,6aR,6bR,8aS,10R,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8 a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid |
7067789 |
(2S,4aR,6aS,6aR,6bR,8aR,10R,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8 a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate |
7067790 |
(2S,4aR,6aS,6aR,6bR,8aR,10R,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8 a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid |
7099902 |
(4S)-4-[(3R,5S,8S,10S,13R,14S,17S)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,14,15,16,17-dodecahyd rocyclopenta[a]phenanthren-17-yl]pentanoate |
7099903 |
(4S)-4-[(3R,5S,8S,10S,13R,14S,17S)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,14,15,16,17-dodecahyd rocyclopenta[a]phenanthren-17-yl]pentanoic acid |
7099904 |
(4R)-4-[(3R,5S,8S,10S,13R,14S,17S)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,14,15,16,17-dodecahyd rocyclopenta[a]phenanthren-17-yl]pentanoate |
internal high similarity DBLink | Rows returned: 13 | 1 2 3 Next >> |
active | Cluster 6100 | Additional Members: 5 | Rows returned: 1 | |
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