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

General Information of Drug (ID: DR2668)
Drug Name
Dihydrogenistein
Synonyms
Dihydrogenistein; 4',5,7-Trihydroxyisoflavan-4-one; 4',5,7-trihydroxyisoflavanone; CHEBI:34707; 5,7-Dihydroxy-3-(4-hydroxyphenyl)chroman-4-one; 5,7-Dihydroxy-3-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one; C14458; Oprea1_192406; SCHEMBL678189; CHEMBL209856; 5,7,4'-trihydroxyisoflavanone; 4',5,7-trihydroxy-Isoflavanone; DTXSID80904153; UQGVUYNHDKMLSE-UHFFFAOYSA-N; SC-78730; FT-0696047; Q27116235; 21554-71-2
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 272.25 Topological Polar Surface Area 87
Heavy Atom Count 20 Rotatable Bond Count 1
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
9838356
ChEBI ID
CHEBI:34707
CAS Number
21554-71-2
Formula
C15H12O5
Canonical SMILES
C1C(C(=O)C2=C(C=C(C=C2O1)O)O)C3=CC=C(C=C3)O
InChI
1S/C15H12O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-6,11,16-18H,7H2
InChIKey
UQGVUYNHDKMLSE-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
5-Hydroxy-equol DM003822
9795113
Unclear 1 [3]
Equol DM003820
91469
Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004170 Dihydrogenistein Equol Unclear Unclear [3]
MR004171 Dihydrogenistein 5-Hydroxy-equol Unclear 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) DME1262 Enterorhabdus mucosicola Not Available Not Available [3]
References
1 Daidzein reductase of Eggerthella sp. YY7918, its octameric subunit structure containing FMN/FAD/4Fe-4S, and its enantioselective production of R-dihydroisoflavones. J Biosci Bioeng. 2018 Sep;126(3):301-309.
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 Conversion of daidzein and genistein by an anaerobic bacterium newly isolated from the mouse intestine. Appl Environ Microbiol. 2008 Aug;74(15):4847-52.

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