Details of the Drug

General Information of Drug (ID: DM7TCPG)

• 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
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 134.13
  Logarithm of the Partition Coefficient (xlogp); 1.5
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C8H6O2
  IUPAC Name: 1-benzofuran-3-one
  Canonical SMILES: C1C(=O)C2=CC=CC=C2O1
  InChI: MGKPCLNUSDGXGT-UHFFFAOYSA-N
  InChIKey: 1S/C8H6O2/c9-7-5-10-8-4-2-1-3-6(7)8/h1-4H,5H2
• Cross-matching ID:
  PubChem CID: 23556
  CAS Number: 7169-34-8
  INTEDE ID: DR2011

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Serum paraoxonase/arylesterase 1 (PON1) Main DME	DESDN74	PON1_HUMAN	Substrate	[1]

References

• [1] Human serum paraoxonase (PON1) isozymes Q and R hydrolyze lactones and cyclic carbonate esters. Drug Metab Dispos. 2000 Nov;28(11):1335-42.