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COCONUT Compound

4',7-Dimethoxyisoflavone

CNP0264833.0 · C17H14O4 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Name4',7-Dimethoxyisoflavone
IUPAC Name7-methoxy-3-(4-methoxyphenyl)chromen-4-one
COCONUT IDCNP0264833.0
CAS1157-39-7
InChIKeyLPNBCGIVZXHHHO-UHFFFAOYSA-N
InChIInChI=1S/C17H14O4/c1-19-12-5-3-11(4-6-12)15-10-21-16-9-13(20-2)7-8-14(16)17(15)18/h3-10H,1-2H3
SMILESCOC1=CC=C(C2=COC3=CC(OC)=CC=C3C2=O)C=C1

Properties

Molecular FormulaC17H14O4
Molecular Weight282.30
Exact Mass282.08921
Log P (ALogP)3.48
TPSA48.67
H-Bond Donors / Acceptors0 / 4
Rotatable Bonds3
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.74
NP-likeness0.30

Classification

NP PathwayShikimates and Phenylpropanoids
NP SuperclassIsoflavonoids
NP ClassIsoflavones
Chemical SuperclassPhenylpropanoids and polyketides
Chemical ClassIsoflavonoids
Chemical SubclassO-methylated isoflavonoids

Reported in GR-MAPs Plants

Matricaria chamomilla as “Chamomilla recutita” in COCONUT

References (6)

  1. 10.1016/0031-9422(75)85263-0
  2. 10.1016/J.FITOTE.2011.10.007
  3. 10.1016/S0960-894X(99)00141-9
  4. 10.1016/s0960-894x(99)00141-9
  5. 10.1021/NP020425U
  6. 10.3987/COM-89-5304

Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.