| 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: |
VPH1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.2842±0.0328805 |
| Normalized OD Score: sc h |
0.6384±0.0334793 |
| Z-Score: |
-6.5097±0.213038 |
| p-Value: |
0.000000000115125 |
| Z-Factor: |
0.365882 |
| Fitness Defect: |
22.885 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 14|B10 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.70 Celcius | | Date: | 2008-03-01 YYYY-MM-DD | | Plate CH Control (+): | 0.039675±0.00036 | | Plate DMSO Control (-): | 0.415925±0.01831 | | Plate Z-Factor: | 0.8514 |
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ps
pdf |
| 7067782 |
(2S,4aR,6aS,6aS,6bR,8aS,10R,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-carboxylate |
| 7067783 |
(2S,4aR,6aS,6aS,6bR,8aS,10R,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 |
| 7067784 |
(2S,4aR,6aS,6aS,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-carboxylate |
| 7067785 |
(2S,4aR,6aS,6aS,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 |
| 7067786 |
(2S,4aR,6aS,6aS,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 |
| 7067787 |
(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-carboxylate |
| internal high similarity DBLink | Rows returned: 13 | 1 2 3 Next >> |
| active | Cluster 6100 | Additional Members: 5 | Rows returned: 1 | |
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