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

General Information of Drug (ID: DR2435)
Drug Name
Isoflavone
Synonyms
Isoflavone; Isoflavone (8CI); Isoflavone skeleton; LS-191186; MCULE-2586547916; OVO2KUW8H8; SBB068618; SCHEMBL8028; ST098957; VN10014; ZINC895390; isoflavon; 3-Phenylchromone; 3-phenyl-4H-1-benzopyran-4-one; 3-phenyl-4H-chromen-4-one; 3-phenylchromen-4-one; 4H-1-Benzopyran-4-one, 3-phenyl-; 574-12-9; AC-12802; AK114020; AKOS015918505; AX8135136; BCP22856; BCP9000133; CCG-214095; CHEBI:18220; CHEMBL366460; CS-W006405; DB12007; DS-6374; DTXSID90205986; KS-00000GFW; NSC 135405; NSC-135405; NSC135405; GOMNOOKGLZYEJT-UHFFFAOYSA-N; UNII-OVO2KUW8H8
Indication Asthma [ICD11: CA23] Phase 4 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 222.24 Topological Polar Surface Area 26.3
Heavy Atom Count 17 Rotatable Bond Count 1
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
72304
ChEBI ID
CHEBI:18220
CAS Number
574-12-9
Formula
C15H10O2
Canonical SMILES
C1=CC=C(C=C1)C2=COC3=CC=CC=C3C2=O
InChI
1S/C15H10O2/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11/h1-10H
InChIKey
GOMNOOKGLZYEJT-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
Isoflavone aglycones DM002575 N. A. Hydrolysis - Hydrolysis 1 [3] , [4]
Isoflavone glucuronide metabolite DM002573 N. A. Conjugation - Glucuronidation 1 [3] , [4] , [5]
Isoflavone sulfate conjugates metabolite DM002574 N. A. Conjugation - Sulfation 1 [3] , [4] , [5]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR001228 Isoflavone Isoflavone glucuronide metabolite Conjugation - Glucuronidation UGT [3], [4], [5]
MR001229 Isoflavone Isoflavone sulfate conjugates metabolite Conjugation - Sulfation SULT [3], [4], [5]
MR001230 Isoflavone Isoflavone aglycones Hydrolysis - Hydrolysis Unclear [3], [4]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Biphenyl dioxygenase (bphC) DME1009 Pseudomonas furukawaii
BPHC_PSEFK
1.13.11.39
[2]
Naphthalene dioxygenase (doxB) DME1615 Pseudomonas furukawaii
NDOB_PSEU8
1.14.12.12
[2]
References
1 ClinicalTrials.gov (NCT01052116) The Study of Soy Isoflavones in Asthma
2 Flavonoids biotransformation by bacterial non-heme dioxygenases, biphenyl and naphthalene dioxygenase. Appl Microbiol Biotechnol. 2011 Jul;91(2):219-28.
3 Bioavailability of isoflavones J Chromatogr B Analyt Technol Biomed Life Sci. 2002 Sep 25;777(1-2):203-10. doi: 10.1016/s1570-0232(02)00347-1.
4 Glucuronides are the main isoflavone metabolites in women J Nutr. 2003 Feb;133(2):399-404. doi: 10.1093/jn/133.2.399.
5 Comprehensive Evaluation of Metabolism and the Contribution of the Hepatic First-Pass Effect in the Bioavailability of Glabridin in Rats. J Agric Food Chem. 2023 Feb 1;71(4):1944-1956. doi: 10.1021/acs.jafc.2c06460.

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