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

General Information of Drug (ID: DR2645)
Drug Name
Glycitein
Synonyms
Glycetein; Glycitein; Glycitein, >=97% (HPLC); Glycitein, analytical standard; Q-100465; 4',7-Dihydroxy-6-methoxyisoflavone; 40957-83-3; 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-; 7,4'-Dihydroxy-6-methoxyisoflavone; 7-Hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one; 7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one; 7-hydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one; 92M5F28TVF; BIDD:ER0470; DXYUAIFZCFRPTH-UHFFFAOYSA-N; CHEBI:34778; CHEMBL513024; SCHEMBL19720; UNII-92M5F28TVF
Indication Stomach cancer [ICD11: 2B72] Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 284.26 Topological Polar Surface Area 76
Heavy Atom Count 21 Rotatable Bond Count 2
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
5317750
ChEBI ID
CHEBI:34778
CAS Number
40957-83-3
Formula
C16H12O5
Canonical SMILES
COC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O)O
InChI
1S/C16H12O5/c1-20-15-6-11-14(7-13(15)18)21-8-12(16(11)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
InChIKey
DXYUAIFZCFRPTH-UHFFFAOYSA-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
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid DM006515
154699661
Conjugation - Conjugation 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007012 Glycitein (2S,3S,4S,5R)-3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid Conjugation - Conjugation 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) DME1256 Bacteroides sartorii Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1289 Tannerella forsythia Not Available Not Available [2]
References
1 Glycitein induces reactive oxygen species-dependent apoptosis and G0/G1 cell cycle arrest through the MAPK/STAT3/NF-B pathway in human gastric cancer cells. Drug Dev Res. 2019 Aug;80(5):573-584.
2 Bacteroides uniformis is a putative bacterial species associated with the degradation of the isoflavone genistein in human feces. J Nutr. 2011 Jun;141(6):1120-6.
3 METXBIODB:HSDB-595

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