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

General Information of Drug (ID: DR2012)
Drug Name
Dihydrocoumarin
Synonyms
Benzodihydropyrone; Benzopyranone, dihydro-; Chroman, 2-oxo-; Coumarin, 3,4-dihydro-; Dihydrobenzopyrone; Melilotic acid lactone; Melilotine; Meliotine; Oxochroman; Usaf do-12; chroman-2-one; dihydrocoumarin; hydrocoumarin; melilotic lactone; melilotin; melilotol; 1,2-benzodihydropyrone; 119-84-6; 2-Hydroxydihydrocinnamic acid lactone; 2-chromanone; 2H-1-Benzopyran-2-one, 3,4-dihydro-; 3,4-Dihydro-2H-1-benzopyran-2-one; 3,4-Dyhydrocoumarin; 3,4-dihydro-2H-chromen-2-one; 3,4-dihydrocoumarin; NCI-C55890
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 148.16 Topological Polar Surface Area 26.3
Heavy Atom Count 11 Rotatable Bond Count 0
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
660
ChEBI ID
CHEBI:16151
CAS Number
119-84-6
Formula
C9H8O2
Canonical SMILES
C1CC(=O)OC2=CC=CC=C21
InChI
1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2
InChIKey
VMUXSMXIQBNMGZ-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
O-Hydroxyphenyl-propionic Acid DM004926
873
Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006291 Dihydrocoumarin Melilotic acid Unclear Unclear [3]
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 Inhibition of Hafnia alvei H4 biofilm formation by the food additive dihydrocoumarin. J Food Prot. 2017 Apr 12:842-847.
2 Human serum paraoxonase (PON1) isozymes Q and R hydrolyze lactones and cyclic carbonate esters. Drug Metab Dispos. 2000 Nov;28(11):1335-42.
3 Impacts on Sirtuin Function and Bioavailability of the Dietary Bioactive Compound Dihydrocoumarin

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