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

General Information of Drug (ID: DR2496)
Drug Name
HY-N0669
Synonyms
Diterpene glycoside; Stevioside; Steviosin; UEDUENGHJMELGK-HYDKPPNVSA-N; ZINC245224268; (4alpha)-beta-D-Glucopyranosyl 13-((2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)kaur-16-en-18-oate; 0YON5MXJ9P; 13-[(2-O-.beta.-D-Glucopyranosyl-.alpha.-D-glucopyranosyl)oxy]kaur-16-en-18-oic acid .beta.-D-glucopyranosyl ester; 4-17-00-03618 (Beilstein Handbook Reference); 57817-89-7; AKOS015895872; C09189; CHEBI:9271; CHEMBL444122; CS-W019786; DS-6711; DTXSID7021281; HY-N0669; KS-00000H36; N1708; SCHEMBL33428; UNII-0YON5MXJ9P
Indication Essential hypertension [ICD11: BA00] Phase 2 [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 804.9 Topological Polar Surface Area 295
Heavy Atom Count 56 Rotatable Bond Count 10
Hydrogen Bond Donor Count 11 Hydrogen Bond Acceptor Count 18
Cross-matching ID
PubChem CID
442089
ChEBI ID
CHEBI:9271
CAS Number
57817-89-7
Formula
C38H60O18
Canonical SMILES
CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)(C)C(=O)OC7C(C(C(C(O7)CO)O)O)O
InChI
1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(50)55-32-29(49)26(46)23(43)18(13-40)52-32)21(37)6-10-38(16,15-37)56-33-30(27(47)24(44)19(14-41)53-33)54-31-28(48)25(45)22(42)17(12-39)51-31/h17-33,39-49H,1,4-15H2,2-3H3/t17-,18-,19-,20+,21+,22-,23-,24-,25+,26+,27+,28-,29-,30-,31+,32+,33+,35-,36-,37-,38+/m1/s1
InChIKey
UEDUENGHJMELGK-HYDKPPNVSA-N
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]
References
1 ClinicalTrials.gov (NCT01488383) Effect of Stevioside in Postpandrial Glucose in Healthy Adults
2 Microbial hydrolysis of steviol glycosides. Food Chem Toxicol. 2008 Jul;46 Suppl 7:S70-4.

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.