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

General Information of Drug (ID: DR2148)
Drug Name
Hydroxydaidzein
Synonyms
MolPort-000-165-583; SCHEMBL571127; 4'',7,8-trihydroxyisoflavone; 4',7,8-Trihydroxyisoflavone; 4H-1-Benzopyran-4-one, 7,8-dihydroxy-3-(4-hydroxyphenyl)-; 7,4'-Trihydroxyisoflavone; 7,8,4''-trihydroxyisoflavone; 7,8,4'-Trihydroxyisoflavone; 7,8-Dihydroxy-3-(4-hydroxy-phenyl)-chromen-4-one; 7,8-Dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one; 7,8-Dihydroxy-3-(4-hydroxyphenyl)chromen-4-one; 75187-63-2; 8-Hydroxydaidzein; AC1NV1M1; BMZFZTMWBCFKSS-UHFFFAOYSA-N; CHEMBL242739; CTK5E1244; DTXSID20226169; NSC 678112; NSC678112
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 270.24 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
5466139
CAS Number
75187-63-2
TTD Drug ID
D09FDZ
Formula
C15H10O5
Canonical SMILES
C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3O)O)O
InChI
1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-15-10(13(11)18)5-6-12(17)14(15)19/h1-7,16-17,19H
InChIKey
BMZFZTMWBCFKSS-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
8-OHDe-7-O-alpha-glucoside DM006536 N. A. Conjugation - Glucuronidation 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR013441 Hydroxydaidzein 8-OHDe-7-O-alpha-glucoside Conjugation - Glucuronidation UGT [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Amylosucrase (AMS) DME1166 Deinococcus geothermalis
Q1J0W0_DEIGD
2.4.1.4
[2] , [3]
References
1 8-Hydroxydaidzein, an aldose reductase inhibitor from okara fermented with Aspergillus sp. HK-388. Biosci Biotechnol Biochem. 2004 Jul;68(7):1588-90.
2 Potential industrial production of a well-soluble, alkaline-stable, and anti-inflammatory isoflavone glucoside from 8-hydroxydaidzein glucosylated by recombinant amylosucrase of Deinococcus geothermalis. Molecules. 2019 Jun 15;24(12). pii: E2236.
3 The complete genome and proteome of Laribacter hongkongensis reveal potential mechanisms for adaptations to different temperatures and habitats. PLoS Genet. 2009 Mar;5(3):e1000416.

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