Magnesium Isoglycyrrhizinate
magnesium (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aS,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxylato-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
Molecular Identity
Magnesium Isoglycyrrhizinate
magnesium (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aS,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxylato-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
PubChem CID: 154572880
Magnesium Isoglycyrrhizinate is the magnesium salt form of the saponin, isoglycyrrhizinate, a derivative of glycyrrhizic acid extracted from the roots of the plant Glycyrrhiza glabra, with potential anti-inflammatory, antioxidant and hepatoprotective activities. Although the exact mechanism of action remains to be fully elucidated, magnesium isoglycyrrhizinate may prevent or reduce hepatotoxicity through the scavenging of free radicals. This agent also modulates the activity of hepatic enzymes such as alanine aminotransferase (ALT), aspartate aminotransferase (AST), superoxide dismutase (SOD) and glutathione peroxidase.
2D Structure
Properties
C42H60MgO16
Molecular Formula
845.20
Molecular Weight
g/mol
844.3732
Exact Mass
Da
273
TPSA
May have limited oral absorption
6
H-Bond Donors
16
H-Bond Acceptors
1720
Complexity
SMILES
Canonical SMILES
SMILES: CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)[O-])O)O)OC5C(C(C(C(O5)C(=O)[O-])O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C.[Mg+2]Isomeric SMILES
SMILES: C[C@]12CC[C@](C[C@@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)[O-])O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)[O-])O)O)O)C)(C)C(=O)O.[Mg+2]Synonyms(18)
Magnesium isoglycyrrhizinate6ZH2XEE84P18alpha-Glycyrrhizin magnesiumMagnesium glycyrrhizinate, 18alpha-660436-69-1alpha-D-Glucopyranosiduronic acid, (3beta,18alpha,20beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-o-beta-D-glucopyranuronosyl-, magnesium salt (1:1)Magnesium 18alpha, 20beta-hydroxy-11-oxo-norolean-12-en-3beta-yl-2-o-beta-D-glucopyranurosyl-alpha-D-glucopyranosiduronateisoglycyrrhizinate magnesiumRefChem:155219DTXSID901031229Magnesium isoglycyrrhizinate [WHO-DD]UNII-6ZH2XEE84P18.alpha.-glycyrrhizin magnesiumCHEBI:233492MAGNESIUM GLYCYRRHIZINATE, 18.ALPHA.-
Data from PubChem (NCBI)
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