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: |
CHS7 |
Replicates: |
2 |
Raw OD Value: r im |
0.4432±0.0460327 |
Normalized OD Score: sc h |
0.7799±0.0513568 |
Z-Score: |
-7.0063±1.07477 |
p-Value: |
0.000000000210104 |
Z-Factor: |
0.075161 |
Fitness Defect: |
22.2834 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 14|B10 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 24.90 Celcius | Date: | 2008-02-21 YYYY-MM-DD | Plate CH Control (+): | 0.040525±0.00051 | Plate DMSO Control (-): | 0.546975±0.00842 | Plate Z-Factor: | 0.9491 |
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3230 |
10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2- carboxylic acid |
10114 |
(2S,4aR,6aS,6aS,6bR,8aS,10S,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 |
73398 |
(2S,4aR,6aS,6aS,6bR,8aS,10S,12aS,14bS)-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 |
111253 |
(2S,4aR,6aS,6aS,6bR,8aS,12aS,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10,13-dioxo-1,3,4,5,6,6a,7,8,8a,11,12, 14b-dodecahydropicene-2-carboxylic acid |
112111 |
(2R,4aR,6aS,6aS,6bR,8aS,10S,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 |
125828 |
(2R,4aR,6aS,6aS,6bR,10S,12aS,14bS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10 ,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid |
internal high similarity DBLink | Rows returned: 13 | << Back 1 2 3 |
active | Cluster 6100 | Additional Members: 5 | Rows returned: 1 | |
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