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COCONUT Compound

eugenol

CNP0134292.0 · C10H12O2 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Nameeugenol
IUPAC Name4-allyl-2-methoxy-phenol
COCONUT IDCNP0134292.0
CAS97-53-0, 38219-15-7
InChIKeyRRAFCDWBNXTKKO-UHFFFAOYSA-N
InChIInChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3
SMILESC=CCC1=CC=C(O)C(OC)=C1

Properties

Molecular FormulaC10H12O2
Molecular Weight164.20
Exact Mass164.08373
Log P (ALogP)2.13
TPSA29.46
H-Bond Donors / Acceptors1 / 2
Rotatable Bonds3
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.69
NP-likeness1.05

Classification

NP PathwayShikimates and Phenylpropanoids
NP SuperclassPhenylpropanoids (C6-C3)
NP ClassCinnamic acids and derivatives
Chemical SuperclassBenzenoids
Chemical ClassPhenols
Chemical SubclassMethoxyphenols

Reported in GR-MAPs Plants

Ocimum sanctum as “Ocimum tenuiflorum” in COCONUT
Cymbopogon flexuosus as “Cymbopogon flexuosus” in COCONUT
Nicotiana tabacum as “Nicotiana tabacum” in COCONUT
Ocimum basilicum as “Ocimum basilicum; Ocimum basilicum L.” in COCONUT
Matricaria chamomilla as “Chamomilla recutita; Matricaria chamomilla” in COCONUT
Acorus calamus as “Acorus Calamus; Acorus calamus L.” in COCONUT
Artemisia annua as “Artemisia Annua” in COCONUT
Foeniculum vulgare as “Foeniculum vulgare” in COCONUT
Daucus carota as “Daucus carota” in COCONUT
Rosmarinus officinalis as “Rosmarinus officinalis” in COCONUT
Mentha Arvensis as “Mentha arvensis” in COCONUT
Origanum vulgare as “Origanum vulgare” in COCONUT
Piper auritum as “Piper auritum” in COCONUT
Ocimum tenuiflorum as “Ocimum tenuiflorum” in COCONUT
Hyssopus officinalis as “Hyssopus officinalis” in COCONUT
Vitex negundo as “Vitex negundo” in COCONUT
Cassia angustifolia as “Senna alexandrina” in COCONUT
Chlorophytum brovillianum as “Chlorophytum borivilianum” in COCONUT
Cinnamomum verum as “Cinnamomum verum; Cinnamomum zeylanicum” in COCONUT
Eucalyptus citriodora as “Corymbia citriodora; Eucalyptus citriodora” in COCONUT
Emblica officinalis as “Phyllanthus emblica” in COCONUT
Nepeta cataria as “Nepeta cataria” in COCONUT
Canabis Sativa as “Cannabis Sativa” in COCONUT
Cestrum nocturnum as “Cestrum Nocturnum” in COCONUT

References (302)

  1. 10.1001/JAMA.291.5.562
  2. 10.1002/(SICI)1099-1026(1998070)13:4<245::AID-FFJ736>3.0.CO;2-J
  3. 10.1002/(SICI)1099-1026(199901/02)14:1<12::AID-FFJ763>3.0.CO;2-7
  4. 10.1002/(SICI)1099-1573(1998)12:1+<S117::AID-PTR269>3.0.CO;2-2
  5. 10.1002/(SICI)1521-4168(19990401)22:4<222::AID-JHRC222>3.0.CO;2-6
  6. 10.1002/1099-1026(200009/10)15:5<339::AID-FFJ922>3.0.CO;2-H
  7. 10.1002/9780470744307.gat218
  8. 10.1002/ARDP.19022400507
  9. 10.1002/BMC.969
  10. 10.1002/CBDV.201000088
  11. 10.1002/CHIN.200334173
  12. 10.1002/CJOC.201180379
  13. 10.1002/FFJ.1058
  14. 10.1002/FFJ.1105
  15. 10.1002/FFJ.2730010103
  16. 10.1002/FFJ.2730020106
  17. 10.1002/FFJ.2730040104
  18. 10.1002/FFJ.2730060109
  19. 10.1002/FFJ.2730080504
  20. 10.1002/FFJ.2730100408
  21. 10.1002/FFJ.2730100506
  22. 10.1002/FFJ.2730100603
  23. 10.1002/FFJ.2730100609
  24. 10.1002/HLCA.19470300152
  25. 10.1002/HLCA.19760590304
  26. 10.1002/JSFA.2740321112
  27. 10.1002/JSFA.5866
  28. 10.1002/JSSC.200900378
  29. 10.1002/PTR.1628
  30. 10.1002/PTR.2650040606
  31. 10.1002/PTR.2650060211
  32. 10.1002/food.19880321030
  33. 10.1007/BF00043642
  34. 10.1007/BF00629663
  35. 10.1007/BF00629777
  36. 10.1007/BF00629778
  37. 10.1007/BF00629779
  38. 10.1007/BF00630021
  39. 10.1007/BF00630333
  40. 10.1007/BF01959201

Showing 40 of 302. See all references on COCONUT.

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.