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

General Information of Drug (ID: DR2636)
Drug Name
HY-N0791
Synonyms
Shekanin; Tectoridin; Tectoridin (7CI,8CI); ZINC4098747; 4',5-Dihydro-6-methoxy-7-(o-glucoside)isoflavone; 4-18-00-03312 (Beilstein Handbook Reference); 4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-; 5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; 611-40-5; 968X515NZH; BRN 0068384; CHEBI:9428; CHEMBL520214; CTK8F0927; DTXSID70209982; CNOURESJATUGPN-UDEBZQQRSA-N; SCHEMBL241734; HY-N0791; UNII-968X515NZH
Indication Fatty liver disease [ICD11: DB92] Preclinical [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 462.4 Topological Polar Surface Area 175
Heavy Atom Count 33 Rotatable Bond Count 5
Hydrogen Bond Donor Count 6 Hydrogen Bond Acceptor Count 11
Cross-matching ID
PubChem CID
5281810
ChEBI ID
CHEBI:9428
CAS Number
611-40-5
Formula
C22H22O11
Canonical SMILES
COC1=C(C=C2C(=C1O)C(=O)C(=CO2)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O
InChI
1S/C22H22O11/c1-30-21-13(32-22-20(29)19(28)17(26)14(7-23)33-22)6-12-15(18(21)27)16(25)11(8-31-12)9-2-4-10(24)5-3-9/h2-6,8,14,17,19-20,22-24,26-29H,7H2,1H3/t14-,17-,19+,20-,22-/m1/s1
InChIKey
CNOURESJATUGPN-UDEBZQQRSA-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
Tectorigenin DM006489
5281811
Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006981 HY-N0791 Tectorigenin Unclear Unclear [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Unclear metabolic mechanism (DME-unclear) DME1388 Bifidobacterium breve Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1762 Eubacterium siraeum Not Available Not Available [2]
References
1 Tectoridin, an isoflavone glycoside from the flower of Pueraria lobata, prevents acute ethanol-induced liver steatosis in mice. Toxicology. 2010 Sep 30;276(1):64-72.
2 Metabolism of 6"-O-xylosyltectoridin and tectoridin by human intestinal bacteria and their hypoglycemic and in vitro cytotoxic activities. Biol Pharm Bull. 1999 Dec;22(12):1314-8.

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