| 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: |
GYP1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6464±0.0427093 |
| Normalized OD Score: sc h |
0.9046±0.0486351 |
| Z-Score: |
-5.2696±2.70008 |
| p-Value: |
0.00038922 |
| Z-Factor: |
-1.1733 |
| Fitness Defect: |
7.8514 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 14|B10 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.20 Celcius | | Date: | 2008-06-10 YYYY-MM-DD | | Plate CH Control (+): | 0.041175±0.00498 | | Plate DMSO Control (-): | 0.7013±0.01311 | | Plate Z-Factor: | 0.9041 |
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ps
pdf |
| 4293810 |
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-carboxylate |
| 4609018 |
4-(3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl
)pentanoic acid |
| 5232706 |
2-(4a,8-dimethyl-7-oxo-1,2,3,4,5,6-hexahydronaphthalen-2-yl)propanoic acid |
| 5283994 |
(4R)-4-[(3R,5R,8S,10S,13R,14S,17R)-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 |
| 5283995 |
(4R)-4-[(8R,9S,10R,12S,13R,14S,17R)-12-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodeca
hydrocyclopenta[a]phenanthren-17-yl]pentanoic acid |
| 5284007 |
(4R)-4-[(3R,5R,10S,13S,14R,17R)-3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,12,14,15,16,17-dodecahydro
cyclopenta[a]phenanthren-17-yl]pentanoic acid |
| internal high similarity DBLink | Rows returned: 13 | 1 2 3 Next >> |
| active | Cluster 6100 | Additional Members: 5 | Rows returned: 1 | |
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