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COCONUT Compound

(-)-Carvone

CNP0244112.2 · C10H14O · View on COCONUT ↗

2D Structure

Identifiers

Name(-)-Carvone
IUPAC Name(5~{R})-5-isopropenyl-2-methyl-cyclohex-2-en-1-one
COCONUT IDCNP0244112.2
CAS6485-40-1
InChIKeyULDHMXUKGWMISQ-SECBINFHSA-N
InChIInChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m1/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

Foeniculum vulgare as “Foeniculum vulgare” in COCONUT
Daucus carota as “Daucus carota” in COCONUT
Mentha Arvensis as “Mentha arvensis” in COCONUT
Salvia officinalis as “Salvia officinalis” in COCONUT
Cassia angustifolia as “Senna alexandrina” in COCONUT
Canabis Sativa as “Cannabis sativa” in COCONUT

References (22)

  1. 10.1002/CBER.19470800611
  2. 10.1002/JPS.3030380504
  3. 10.1002/JPS.3030390406
  4. 10.1002/MRC.2050
  5. 10.1007/BF00579758
  6. 10.1016/J.PHYTOCHEM.2005.10.025
  7. 10.1016/J.POSTHARVBIO.2007.10.011
  8. 10.1016/S0031-9422(00)80325-8
  9. 10.1016/S0031-9422(00)81969-X
  10. 10.1016/S0031-9422(00)82094-4
  11. 10.1016/S0031-9422(00)97295-9
  12. 10.1016/S0031-9422(97)00117-9
  13. 10.1016/j.postharvbio.2007.10.011
  14. 10.1016/s0021-9673(99)01009-2
  15. 10.1021/JF00060A013
  16. 10.1021/NP50001A004
  17. 10.1021/NP50034A039
  18. 10.1055/S-0028-1097609
  19. 10.1055/S-0028-1097617
  20. 10.1094/PHYTO.2000.90.7.710
  21. 10.1104/PP.89.4.1351
  22. 10.1590/S0103-50532010000500003

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.