Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR2739)
Drug Name
Ginsenoside Rg1
Synonyms Chikusetsusaponin Ia; ginsenoside-Rg(1); sanchinoside C(1); C17544; CHEBI:81171
Indication Insomnia [ICD11: 7A00] Investigative [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 755 Topological Polar Surface Area 199
Heavy Atom Count 53 Rotatable Bond Count 9
Hydrogen Bond Donor Count 8 Hydrogen Bond Acceptor Count 12
Cross-matching ID
PubChem CID
13386145
ChEBI ID
CHEBI:81171
CAS Number
59252-86-7
Formula
C41H70O12
Canonical SMILES
CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)COC6C(C(C(CO6)O)O)O)O)O)O)C)C)O)C)O)C
InChI
1S/C41H70O12/c1-21(2)10-9-14-41(8,49)22-11-16-40(7)29(22)23(42)18-27-38(5)15-13-28(37(3,4)26(38)12-17-39(27,40)6)53-36-34(48)32(46)31(45)25(52-36)20-51-35-33(47)30(44)24(43)19-50-35/h10,22-36,42-49H,9,11-20H2,1-8H3
InChIKey
DGSOBIYFLJXVQZ-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Ginsenoside Re Metabolite M8(G-Rh1) DM005902
12855920
Unclear 1 [3]
Ginsenoside Re Metabolite M9(G-F1) DM005904
9809542
Unclear 1 [3]
Ginsenoside Re Metabolite M10(Protopanaxatriol) DM005903
11468733
Unclear 2 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006346 Ginsenoside Rg1 Ginsenoside Re Metabolite M8(G-Rh1) Unclear Unclear [3]
MR006348 Ginsenoside Rg1 Ginsenoside Re Metabolite M9(G-F1) Unclear Unclear [3]
MR006347 Ginsenoside Re Metabolite M8(G-Rh1) Ginsenoside Re Metabolite M10(Protopanaxatriol) Unclear Unclear [3]
MR006349 Ginsenoside Re Metabolite M9(G-F1) Ginsenoside Re Metabolite M10(Protopanaxatriol) Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Beta-glucosidase (bglA) DME1204 Actinosynnema mirum
C6WCL5_ACTMD
3.2.1.21
[2]
References
1 Ginsenoside Rg1 prevents chronic stress-induced depression-like behaviors and neuronal structural plasticity in rats. Cell Physiol Biochem. 2018;48(6):2470-2482.
2 Characterization of the ginsenoside-transforming recombinant beta-glucosidase from Actinosynnema mirum and bioconversion of major ginsenosides into minor ginsenosides. Appl Microbiol Biotechnol. 2013 Jan;97(2):649-59.
3 Changes in intestinal microbiota affect metabolism of ginsenoside Re

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