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

General Information of Drug (ID: DR2681)
Drug Name
Glucopyranosyl oleanolate
Synonyms
Beta-D-glucopyranosyl oleanolate; Oleanolic acid 28-O-beta-D-glucopyranoside; Compound O; Beta-D-glucopyranosyl oleanolate; oleanolic acid beta-D-glucopyranosyl ester; SCHEMBL2999839; BDBM50235153; ZINC49898882; 162H539; Q27136470; CHEBI:67985; CHEMBL510111; 14162-53-9
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 618.8 Topological Polar Surface Area 137
Heavy Atom Count 44 Rotatable Bond Count 4
Hydrogen Bond Donor Count 5 Hydrogen Bond Acceptor Count 8
Cross-matching ID
PubChem CID
14189384
ChEBI ID
CHEBI:67985
CAS Number
14162-53-9
Formula
C36H58O8
Canonical SMILES
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O)C
InChI
1S/C36H58O8/c1-31(2)14-16-36(30(42)44-29-28(41)27(40)26(39)22(19-37)43-29)17-15-34(6)20(21(36)18-31)8-9-24-33(5)12-11-25(38)32(3,4)23(33)10-13-35(24,34)7/h8,21-29,37-41H,9-19H2,1-7H3/t21-,22+,23-,24+,25-,26+,27-,28+,29-,33-,34+,35+,36-/m0/s1
InChIKey
KMKFOIBUKYMVRJ-YHFBEQRYSA-N
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Beta-glucosidase (bglA) DME1206 Fusobacterium mortiferum
R7LVY8_9FUSO
3.2.1.21
[2]
References
1 A new triterpene saponin from Chenopodium ficifolium. Z Naturforsch C J Biosci. 2002 Jul-Aug;57(7-8):597-602.
2 Constitutive beta-glucosidases hydrolyzing ginsenoside Rb1 and Rb2 from human intestinal bacteria. Biol Pharm Bull. 2000 Dec;23(12):1481-5.

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