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

General Information of Drug (ID: DR2605)
Drug Name
Kalopanaxsaponin H
Synonyms
Kalopanaxsaponin H; Kalopanaxsaponin-H; 128730-82-5; Olean-12-en-28-oic acid, 3-[(O-.beta.-D-glucopyranosyl-(1.fwdarw.3)-O-6-deoxy-.alpha.-L-mannopyranosyl-(1.fwdarw.2)-.alpha.-L-arabinopyranosyl)oxy]-23-hydroxy-, (3.beta.,4.alpha.)-
Indication Diabetes mellitus [ICD11: 5A10] Investigative [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 913.1 Topological Polar Surface Area 275
Heavy Atom Count 64 Rotatable Bond Count 9
Hydrogen Bond Donor Count 10 Hydrogen Bond Acceptor Count 17
Cross-matching ID
PubChem CID
475722
CAS Number
128730-82-5
Formula
C47H76O17
Canonical SMILES
CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C(C3(C)CO)CCC5(C4CC=C6C5(CCC7(C6CC(CC7)(C)C)C(=O)O)C)C)C)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)O
InChI
1S/C47H76O17/c1-22-30(51)36(63-38-34(55)33(54)32(53)26(19-48)61-38)35(56)39(60-22)64-37-31(52)25(50)20-59-40(37)62-29-11-12-43(4)27(44(29,5)21-49)10-13-46(7)28(43)9-8-23-24-18-42(2,3)14-16-47(24,41(57)58)17-15-45(23,46)6/h8,22,24-40,48-56H,9-21H2,1-7H3,(H,57,58)/t22-,24-,25-,26+,27+,28+,29-,30-,31-,32+,33-,34+,35+,36+,37?,38-,39-,40-,43-,44-,45+,46+,47+/m0/s1
InChIKey
AMXYFWUYMQOLRN-VSLJUTLUSA-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
Kalopanaxsaponin I DM004941
475709
Unclear 1 [1]
Hederagenin DM004944
73299
Unclear 2 [1]
Kalopanaxsaponin A DM004942
73296
Unclear 2 [1]
Hederagenin DM004944
73299
Unclear 3 [1]
Hederagenin 3-O-alpha-L-arabinopyranoside DM004943
441928
Unclear 3 [1]
Hederagenin DM004944
73299
Unclear 4 [1]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005339 Kalopanaxsaponin H Kalopanaxsaponin I Unclear Unclear [1]
MR005340 Kalopanaxsaponin I Kalopanaxsaponin A Unclear Unclear [1]
MR005344 Kalopanaxsaponin I Hederagenin Unclear Unclear [1]
MR005341 Kalopanaxsaponin A Hederagenin 3-O-alpha-L-arabinopyranoside Unclear Unclear [1]
MR005343 Kalopanaxsaponin A Hederagenin Unclear Unclear [1]
MR005342 Hederagenin 3-O-alpha-L-arabinopyranoside Hederagenin Unclear Unclear [1]
⏷ Show the Full List of 6 MR(s)
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) DME1737 Fusobacterium canifelinum Not Available Not Available [2]
References
1 Metabolism of kalopanaxsaponin B and H by human intestinal bacteria and antidiabetic activity of their metabolites. Biol Pharm Bull. 1998 Apr;21(4):360-5.
2 Metabolism of kalopanaxsaponin K by human intestinal bacteria and antirheumatoid arthritis activity of their metabolites. Biol Pharm Bull. 2002 Jan;25(1):68-71.

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