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COCONUT Compound

Eugenin

CNP0106090.0 · C11H10O4 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameEugenin
IUPAC Name5-hydroxy-7-methoxy-2-methyl-chromen-4-one
COCONUT IDCNP0106090.0
CAS480-34-2
InChIKeySUTUBQHKZRNZRA-UHFFFAOYSA-N
InChIInChI=1S/C11H10O4/c1-6-3-8(12)11-9(13)4-7(14-2)5-10(11)15-6/h3-5,13H,1-2H3
SMILESCOC1=CC(O)=C2C(=O)C=C(C)OC2=C1

Properties

Molecular FormulaC11H10O4
Molecular Weight206.20
Exact Mass206.05791
Log P (ALogP)1.82
TPSA59.67
H-Bond Donors / Acceptors1 / 4
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.77
NP-likeness1.38

Classification

NP PathwayPolyketides
NP SuperclassChromanes
NP ClassChromones
Chemical SuperclassOrganoheterocyclic compounds
Chemical ClassBenzopyrans
Chemical Subclass1-benzopyrans

Reported in GR-MAPs Plants

Daucus carota as “Daucus carota” in COCONUT

References (19)

  1. 10.1002/CHIN.200632232
  2. 10.1002/RECL.19460651112
  3. 10.1007/BF00566803
  4. 10.1016/0031-9422(90)85130-8
  5. 10.1016/0031-9422(95)00625-7
  6. 10.1016/0031-9422(96)00360-3
  7. 10.1016/J.FITOTE.2009.07.004
  8. 10.1016/J.PHYTOCHEM.2003.08.002
  9. 10.1016/S2221-1691(12)60050-1
  10. 10.1021/JF034085+
  11. 10.1021/NP020608G
  12. 10.1021/NP030097D
  13. 10.1021/NP1008575
  14. 10.1021/NP8006342
  15. 10.1021/np030097d
  16. 10.1021/np1008575
  17. 10.1021/np8006342
  18. 10.1248/CPB.54.44
  19. 10.1248/CPB.57.1015

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.