Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0FU3S)
DIG Name
Monoammonium glycyrrhizate
Synonyms    Click to Show/Hide the Synonyms of This DIG
Ammonium glycyrrhizate; AMMONIUM GLYCYRRHIZINATE; Glycyrrhizic acid ammonium salt; Monoammonium glycyrrhizinate; Monoammonium glycyrrhizate; 53956-04-0; Glycyrrhizic acid, monoammonium salt; Ammoniated glycyrrhizin; UNII-3VRD35U26C; 1407-03-0; Glycyrrhizic acid, ammonium salt; Glycyrrhizin, ammoniated; 3VRD35U26C; NSC 2800; Glycamil; Ammonium Glycyrrhizinate (AMGZ); AMGZ; Glycyrram; Monoammoniumglycyrrhizinate; Glycyrrhizinic acid, ammonium salt (1:1); FEMA No. 2528; CCRIS 1897; MFCD00167400; EINECS 258-887-7; Magnasweet; Glycyrrhizin, ammoniated (Glycyrrhiza spp.); AMGZ;Glycyram; Glycyrrhizin ammoniacal; Glycyron No.1 (TN); Ammonium glycyrrhizate (NF); alpha-D-Glucopyranosiduronic acid, (3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucopyranuronosyl-,; Monoammonium (3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucopyranuronosyl-alpha-D-glucopyranosidu; SCHEMBL152097; CHEBI:81864; HY-N0184B; Monoammonium 18; A-glycyrrhizinate; C42H62O16.NH3; Monoammonium glycyrrhizinate (JAN); s2376; s9143; AKOS022168214; CCG-270522; CCG-270523; alpha-D-Glucopyranosiduronic acid, (3-beta,20-beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucopyranuronosyl-, ammoniate; alpha-D-Glucopyranosiduronic acid, (3beta,20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D- -glucopyranuronosyl-, ammoniate; alpha-D-Glucopyranosiduronic acid, (3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucopyranuronosyl-, monoammonium salt; 29-Hydroxy-11,29-dioxoolean-12-en-3-yl 2-O-hexopyranuronosylhexopyranosiduronic acid; CS-0027757; N1944; C18610; D04987; 53956-04-0 1407-03-0(base); Q-201173; Q27155631; Glycyrrhizic acid ammonium salt, analytical standard, for HPLC; Ammonium glycyrrhizate, European Pharmacopoeia (EP) Reference Standard; Ammonium glycyrrhizate, United States Pharmacopeia (USP) Reference Standard; Glycyrrhizate monoammonium, European Pharmacopoeia (EP) Reference Standard; Glycyrrhizic acid ammonium salt, primary pharmaceutical reference standard; Ammonium Glycyrrhizate, Pharmaceutical Secondary Standard; Certified Reference Material; Glycyrrhizic acid ammonium salt from glycyrrhiza root (licorice), >=70% (HPLC); Glycyrrhizic acid ammonium salt from glycyrrhiza root (licorice), >=95.0% (NT); alpha-D-Glucopyranosiduronic acid, (3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucopyranuronosyl-, ammonium salt (1:1)
DIG Function
Emulsifying agent; Flavoring agent
PubChem CID
62074
Formula
C42H65NO16
Canonical 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.N
InChI
1S/C42H62O16.H3N/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);1H3/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+;/m0./s1
InChIKey
ILRKKHJEINIICQ-OOFFSTKBSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This DIG
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=62074"></iframe>
3D MOL is not available 2D MOL
Physicochemical Properties Molecular Weight 840 Topological Polar Surface Area 268
XlogP N.A. Complexity 1730
Heavy Atom Count 59 Rotatable Bond Count 7
Hydrogen Bond Donor Count 9 Hydrogen Bond Acceptor Count 17
Full List of Active Pharmaceutical Ingredients (APIs) Co-administrated with This DIG
       ICD Disease Classification 01 Infectious/parasitic disease Click to Show/Hide
Raltegravir
 API Info
Human immunodeficiency virus infection [ICD-11: 1C60]
 [1]
       ICD Disease Classification 06 Mental/behavioural/neurodevelopmental disorder Click to Show/Hide
Risperidone
 API Info
Schizophrenia [ICD-11: 6A20]
 [2]
       ICD Disease Classification 08 Nervous system disease Click to Show/Hide
Donepezil
 API Info
Alzheimer disease [ICD-11: 8A20]
 [3]
       ICD Disease Classification 16 Genitourinary system disease Click to Show/Hide
Ibuprofen
 API Info
Dysmenorrhea [ICD-11: GA34]
 [4]
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Oxidoreductase (ORase)
            DBT Name: Dehydrogenase/reductase 9C 3 (11-DH2) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 0.4 nM (estimated based on the structural similarity with CHEMBL441687 ) [5]
                    Structural Similarity Tanimoto coefficient = 0.982905983
                    Tested Species Homo sapiens (Human)
                    UniProt ID DHI2_HUMAN
            DBT Name: Dehydrogenase/reductase 26C 1 (11-DH) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity EC50 = 10 nM (estimated based on the structural similarity with CHEMBL441687 ) [6]
                    Structural Similarity Tanimoto coefficient = 0.982905983
                    Tested Species Homo sapiens (Human)
                    UniProt ID DHI1_HUMAN
               Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity EC50 = 8 nM (estimated based on the structural similarity with CHEMBL441687 ) [6]
                    Structural Similarity Tanimoto coefficient = 0.982905983
                    Tested Species Mus musculus (Mouse)
                    UniProt ID DHI1_MOUSE
      Potential-driven transporter (PDT)
            DBT Name: Solute carrier SLCO2B1 (OATPB) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity Inhibition ratio = 41.4 % (tested by experiment) [7]
                    Tested Species Homo sapiens (Human)
                    UniProt ID SO2B1_HUMAN
      Cell line (CELL)
            DBT Name: Immortalized MDCK cells (MDCK) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity EC50 = 15200 nM (estimated based on the structural similarity with CHEMBL441687 ) [8]
                    Structural Similarity Tanimoto coefficient = 0.982905983
                    Tested Species Canis lupus familiaris (Dog)
                    Cellosaurus ID CVCL_0422
References
1 2007 FDA drug approvals: a year of flux. Nat Rev Drug Discov. 2008 Feb;7(2):107-9.
2 FDA label for approved risperidone from the official website of the U.S. Food and Drug Administration.
3 FDA label for approved donepezil from the official website of the U.S. Food and Drug Administration.
4 FDA label for approved ibuprofen from the official website of the U.S. Food and Drug Administration.
5 Cycloartane and friedelane triterpenoids from the leaves of Caloncoba glauca and their evaluation for inhibition of 11-hydroxysteroid dehydrogenases. J Nat Prod. 2012 Apr 27; 75(4):599-604.
6 Synthesis and evaluation of piperidine urea derivatives as efficacious 11-hydroxysteroid dehydrogenase type 1 inhibitors in diabetic ob/ob mice. Bioorg Med Chem Lett. 2012 Apr 15; 22(8):2748-52.
7 Bacterial metabolism rescues the inhibition of intestinal drug absorption by food and drug additives. Proc Natl Acad Sci U S A. 2020 Jul 7;117(27):16009-16018.
8 Glycyrrhizic acid derivatives as influenza A/H1N1 virus inhibitors. Bioorg Med Chem Lett. 2015 Apr 15; 25(8):1742-1746.

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