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

General Information of Drug (ID: DR2464)
Drug Name
Dihydrodaidzein
Synonyms
BID0517; Dihydro Daidzein; Dihydrodaidzein (keto); Dihydrodazein; Isoflavanone, 4',7-dihydroxy-; JHYXBPPMXZIHKG-UHFFFAOYSA-N; SCHEMBL131543; ZX-AFC001619; dihydrodaidzein; (+/-)-Dihydrodaidzein; (R,S)-2,3-Dihydrodaidzein; 17238-05-0; 2,3-dihydro-7-hydroxy-3-(4-hydroxyphenyl)-4H-1-Benzopyran-4-one; 4',7-dihydroxy-Isoflavanone; 7,4'-Dihydroxyisoflavanone; 7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one; 7-hydroxy-3-(4-hydroxyphenyl)chroman-4-one; CHEBI:75842; CTK8C3008; DTXSID70912308; HY-N1461; SCHEMBL16152440
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 256.25 Topological Polar Surface Area 66.8
Heavy Atom Count 19 Rotatable Bond Count 1
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
176907
ChEBI ID
CHEBI:75842
CAS Number
17238-05-0
Formula
C15H12O4
Canonical SMILES
C1C(C(=O)C2=C(O1)C=C(C=C2)O)C3=CC=C(C=C3)O
InChI
1S/C15H12O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-7,13,16-17H,8H2
InChIKey
JHYXBPPMXZIHKG-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
Dihydrodaidzein DM003821
176907
Unclear 1 [5]
Tetrahydrodaidzein DM003818
129651510
Unclear 1 [2] , [3]
Dehydroequol DM003819
219100
Unclear 2 [2]
Equol DM003820
91469
Unclear 2 [2]
Equol DM003820
91469
Unclear 3 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004165 Dihydrodaidzein Tetrahydrodaidzein Unclear l-dhdr [2], [3]
MR004169 Dihydrodaidzein Dihydrodaidzein Unclear Unclear [5]
MR004166 Tetrahydrodaidzein Dehydroequol Unclear Unclear [2]
MR004168 Tetrahydrodaidzein Equol Unclear Unclear [2]
MR004167 Dehydroequol Equol Unclear Unclear [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Dihydrodaidzein reductase (l-dhdr) DMEN150 Lactococcus garvieae
E7FL41_9LACT
Not Available [2] , [3]
Unclear metabolic mechanism (DME-unclear) DME1262 Enterorhabdus mucosicola Not Available Not Available [4]
References
1 Dihydrodaidzein and 6-hydroxydaidzein mediate the fermentation-induced increase of antiosteoporotic effect of soybeans in ovariectomized mice. FASEB J. 2019 Mar;33(3):3252-3263.
2 Enantioselective synthesis of S-equol from dihydrodaidzein by a newly isolated anaerobic human intestinal bacterium
3 P212A Mutant of Dihydrodaidzein Reductase Enhances (S)-Equol Production and Enantioselectivity in a Recombinant Escherichia coli Whole-Cell Reaction System
4 Conversion of daidzein and genistein by an anaerobic bacterium newly isolated from the mouse intestine. Appl Environ Microbiol. 2008 Aug;74(15):4847-52.
5 R(-)-O-desmethylangolensin is the main enantiomeric form of daidzein metabolite produced by human in vitro and in vivo

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