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CHEBI:233492 - Magnesium Isoglycyrrhizinate

Default Structure
ChEBI IDCHEBI:233492
ChEBI NameMagnesium Isoglycyrrhizinate
Stars
DefinitionMagnesium 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.
Submitterlbonaobra
DownloadsMolfile
FormulaC42H60O16.Mg
Net Charge0
Average Mass845.231
Monoisotopic Mass844.37318
SMILES[H][C@@]1(O[C@@]2([H])[C@@]([H])(O[C@@]3([H])CC[C@]4(C)[C@@]5([H])C(=O)C=C6[C@@]7([H])C[C@@](C)(C(=O)O)CC[C@]7(C)CC[C@@]6(C)[C@]5(C)CC[C@@]4([H])C3(C)C)O[C@]([H])(C(=O)[O-])[C@@]([H])(O)[C@]2([H])O)O[C@]([H])(C(=O)[O-])[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O.[Mg+2]
InChIInChI=1S/C42H62O16.Mg/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50;/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54);/q;+2/p-2/t19-,21+,22+,23+,24+,25+,26+,27-,28+,29+,30-,31-,34+,35+,38-,39+,40+,41-,42-;/m1./s1
InChIKeyOJIXTCWHYBRFHL-LEEOIRFPSA-L
ChEBI Ontology
Outgoing Relation(s)
Magnesium Isoglycyrrhizinate (CHEBI:233492) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
660436-69-1SUBMITTER
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-carboxylateSUBMITTER
Registry NumbersSources
CAS:660436-69-1SUBMITTER