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COCONUT Compound

Peucedanin

CNP0251233.0 · C15H14O4 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NamePeucedanin
IUPAC Name2-isopropyl-3-methoxy-furo[3,2-g]chromen-7-one
COCONUT IDCNP0251233.0
CAS133-26-6
InChIKeyYQBNJPACAUPNLV-UHFFFAOYSA-N
InChIInChI=1S/C15H14O4/c1-8(2)14-15(17-3)10-6-9-4-5-13(16)18-11(9)7-12(10)19-14/h4-8H,1-3H3
SMILESCOC1=C(C(C)C)OC2=CC3=C(C=CC(=O)O3)C=C12

Properties

Molecular FormulaC15H14O4
Molecular Weight258.27
Exact Mass258.08921
Log P (ALogP)3.67
TPSA52.58
H-Bond Donors / Acceptors0 / 4
Rotatable Bonds2
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.66
NP-likeness0.80

Classification

NP PathwayShikimates and Phenylpropanoids
NP SuperclassCoumarins
NP ClassFurocoumarins
Chemical SuperclassPhenylpropanoids and polyketides
Chemical ClassCoumarins and derivatives
Chemical SubclassFuranocoumarins

Reported in GR-MAPs Plants

Daucus carota as “Daucus Carota; Daucus carota subsp. sativus (Hoffm.) Schuebl. & G. Martens” in COCONUT

References (10)

  1. 10.1002/9780470744307.gat218
  2. 10.1002/food.19880321030
  3. 10.1007/BF00570863
  4. 10.1016/J.FITOTE.2005.06.005
  5. 10.1016/J.FITOTE.2007.04.004
  6. 10.1016/J.PHYTOCHEM.2005.01.022
  7. 10.1021/NP0340652
  8. 10.1080/13880200802055800
  9. 10.1080/14786419.2014.947487
  10. 10.3109/10408447709082600

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.