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COCONUT Compound

d-Carvone

CNP0244112.1 · C10H14O · View on COCONUT ↗

2D Structure

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Identifiers

Named-Carvone
IUPAC Name(5~{S})-5-isopropenyl-2-methyl-cyclohex-2-en-1-one
COCONUT IDCNP0244112.1
CAS2244-16-8
InChIKeyULDHMXUKGWMISQ-VIFPVBQESA-N
InChIInChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m0/s1
SMILESC=C(C)[C@H]1CC=C(C)C(=O)C1

Properties

Molecular FormulaC10H14O
Molecular Weight150.22
Exact Mass150.10447
Log P (ALogP)2.49
TPSA17.07
H-Bond Donors / Acceptors0 / 1
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.52
NP-likeness2.30

Classification

NP PathwayTerpenoids
NP SuperclassMonoterpenoids
NP ClassMenthane monoterpenoids
Chemical SuperclassLipids and lipid-like molecules
Chemical ClassPrenol lipids
Chemical SubclassMonoterpenoids

Reported in GR-MAPs Plants

Arabidopsis thaliana as “Arabidopsis thaliana” in COCONUT
Artemisia annua as “Artemisia annua; Artemisia annua L.” in COCONUT
Foeniculum vulgare as “Foeniculum vulgare” in COCONUT
Mentha piperita as “Mentha piperita; Mentha piperita L.” in COCONUT
Daucus carota as “Daucus carota” in COCONUT
Rosmarinus officinalis as “Rosmarinus officinalis” in COCONUT
Mentha Arvensis as “Mentha arvensis; Mentha arvensis L.” in COCONUT
Salvia officinalis as “Salvia officinalis” in COCONUT
Cassia angustifolia as “Senna alexandrina” in COCONUT
Cymbopogon martini as “Cymbopogon martinii” in COCONUT
Canabis Sativa as “Cannabis sativa” in COCONUT

References (157)

  1. 10.1002/(SICI)1099-1026(199601)11:1<15::AID-FFJ541>3.0.CO;2-H
  2. 10.1002/(SICI)1099-1026(199709/10)12:5<305::AID-FFJ659>3.0.CO;2-7
  3. 10.1002/(SICI)1099-1573(199605)10:3<248::AID-PTR807>3.0.CO;2-9
  4. 10.1002/CBDV.201400340
  5. 10.1002/CBDV.201800531
  6. 10.1002/FFJ.1248
  7. 10.1002/FFJ.2730010303
  8. 10.1002/FFJ.2730020106
  9. 10.1002/FFJ.2730060307
  10. 10.1002/FFJ.2730070603
  11. 10.1002/FFJ.2730090107
  12. 10.1002/FFJ.2730100310
  13. 10.1002/FFJ.2730100408
  14. 10.1002/FFJ.2730100605
  15. 10.1002/FFJ.2730100609
  16. 10.1002/HLCA.19760590304
  17. 10.1002/JSSC.200900378
  18. 10.1002/PTR.2650090215
  19. 10.1007/BF00630022
  20. 10.1007/BF02536610
  21. 10.1007/BF02859170
  22. 10.1007/BF02985250
  23. 10.1007/S11418-006-0112-9
  24. 10.1016/0031-9422(74)85022-3
  25. 10.1016/0031-9422(88)83101-7
  26. 10.1016/0031-9422(90)85066-O
  27. 10.1016/0031-9422(90)85103-M
  28. 10.1016/0031-9422(90)85109-S
  29. 10.1016/0031-9422(90)85421-B
  30. 10.1016/0031-9422(91)83632-U
  31. 10.1016/0031-9422(92)80396-V
  32. 10.1016/0305-1978(76)90046-6
  33. 10.1016/0305-1978(84)90011-5
  34. 10.1016/0305-1978(88)90091-9
  35. 10.1016/0305-1978(92)90070-T
  36. 10.1016/0305-1978(93)90031-L
  37. 10.1016/0305-1978(96)00023-3
  38. 10.1016/0926-6690(92)90031-P
  39. 10.1016/J.CHROMA.2014.10.058
  40. 10.1016/J.FOODCHEM.2006.01.045

Showing 40 of 157. 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.