| 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: |
DRS2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6074±0.0162635 |
| Normalized OD Score: sc h |
0.8812±0.00481534 |
| Z-Score: |
-5.1302±0.220472 |
| p-Value: |
0.00000038985 |
| Z-Factor: |
0.346787 |
| Fitness Defect: |
14.7575 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 14|B10 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.30 Celcius | | Date: | 2008-01-11 YYYY-MM-DD | | Plate CH Control (+): | 0.041275±0.00068 | | Plate DMSO Control (-): | 0.6683±0.01413 | | Plate Z-Factor: | 0.9250 |
|  png
ps
pdf |
| 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 | 1 2 3 Next >> |
| active | Cluster 6100 | Additional Members: 5 | Rows returned: 1 | |
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