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

General Information of Drug (ID: DR2452)
Drug Name
Ginsenoside Rh2
Synonyms
Ginsenoside Rh2; Ginsenoside-Rh2; (20R)Ginsenoside Rh2; (20S)-ginsenoside Rh2; (2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol; (S)Ginsenoside-Rh2; 20(S)-Ginsenoside; 20(S)-Ginsenoside Rh2; 20(S)-Ginsenoside-RH2; 20S-Ginsenoside Rh2; 67400-17-3; 78214-33-2; C36H62O8; CHEBI:77147
Indication Breast cancer [ICD11: 2C60] Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 622.9 Topological Polar Surface Area 140
Heavy Atom Count 44 Rotatable Bond Count 7
Hydrogen Bond Donor Count 6 Hydrogen Bond Acceptor Count 8
Cross-matching ID
PubChem CID
119307
ChEBI ID
CHEBI:77147
CAS Number
78214-33-2
Formula
C36H62O8
Canonical SMILES
CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)C)C)O)C)O)C
InChI
1S/C36H62O8/c1-20(2)10-9-14-36(8,42)21-11-16-35(7)27(21)22(38)18-25-33(5)15-13-26(32(3,4)24(33)12-17-34(25,35)6)44-31-30(41)29(40)28(39)23(19-37)43-31/h10,21-31,37-42H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,26-,27-,28+,29-,30+,31-,33-,34+,35+,36-/m0/s1
InChIKey
CKUVNOCSBYYHIS-IRFFNABBSA-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
20(R)-protopanaxadiol DM005912
9920281
Unclear 1 [3]
20(S)-protopanaxadiol DM005998
11213350
Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006350 Ginsenoside Rh2 20(R)-protopanaxadiol Unclear Unclear [3]
MR006351 Ginsenoside Rh2 20(S)-protopanaxadiol Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Unclear metabolic mechanism (DME-unclear) DME1253 Bacteroides oleiciplenus Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1392 Bifidobacterium angulatum Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1426 Eubacterium cellulosolvens Not Available Not Available [2]
References
1 Ginsenoside Rh2 epigenetically regulates cell-mediated immune pathway to inhibit proliferation of MCF-7 breast cancer cells. J Ginseng Res. 2018 Oct;42(4):455-462.
2 Metabolism of 20(S)- and 20(R)-ginsenoside Rg3 by human intestinal bacteria and its relation to in vitro biological activities. Biol Pharm Bull. 2002 Jan;25(1):58-63.
3 Ginsenoside Rb1 and its metabolite compound K inhibit IRAK-1 activation--the key step of inflammation

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