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

General Information of Drug (ID: DR2011)
Drug Name
Coumaranone
Synonyms
Benzofuran-3(2H)-one; Benzofuran-3-one; Coumaran-3-one; Coumaranone; MGKPCLNUSDGXGT-UHFFFAOYSA-N; PubChem7023; benzofuran-3 (2h)-one; benzofuran-3-(2H)-one; 1-Benzofuran-3(2H)-one; 1-benzofuran-3-one; 2,3-Dihydrobenzo[b]furan-3-one; 2,3-dihydro-1-benzofuran-3-one; 2-hydrobenzo[b]furan-3-one; 2H-3-Benzofuranone; 2H-BENZOFURAN-3-ONE; 2H-BEZOFURAN-3-ONE; 3(2H)-BENZOFURANONE; 3-(2H)-benzo[b]furanone; 3-BENZOFURANONE; 3-Coumaranone; 7169-34-8; 71699-34-8; AC1L2MLQ; CCRIS 3596; MFCD00051810; NCIOpen2_003700; SCHEMBL69412
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 134.13 Topological Polar Surface Area 26.3
Heavy Atom Count 10 Rotatable Bond Count 0
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
23556
CAS Number
7169-34-8
Formula
C8H6O2
Canonical SMILES
C1C(=O)C2=CC=CC=C2O1
InChI
1S/C8H6O2/c9-7-5-10-8-4-2-1-3-6(7)8/h1-4H,5H2
InChIKey
MGKPCLNUSDGXGT-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
Unclear DM009999 N. A. Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005798 Coumaranone Unclear Unclear PON1 [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Serum paraoxonase/arylesterase 1 (PON1) DME0169 Homo sapiens
PON1_HUMAN
3.1.1.2
[2]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Serum paraoxonase/arylesterase 1 (PON1) DME0169 Km = 0.013 microM
PON1_HUMAN
[2]
References
1 Evaluation of fourteen aurone derivatives as potential anti-cancer agents. Curr Pharm Biotechnol. 2017;18(5):384-390.
2 Human serum paraoxonase (PON1) isozymes Q and R hydrolyze lactones and cyclic carbonate esters. Drug Metab Dispos. 2000 Nov;28(11):1335-42.

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