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COCONUT Compound

Eucarvone

CNP0265210.0 · C10H14O · View on COCONUT ↗

2D Structure

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Identifiers

NameEucarvone
IUPAC Name2,6,6-trimethylcyclohepta-2,4-dien-1-one
COCONUT IDCNP0265210.0
InChIKeyQNGQIURXCUHNAT-UHFFFAOYSA-N
InChIInChI=1S/C10H14O/c1-8-5-4-6-10(2,3)7-9(8)11/h4-6H,7H2,1-3H3
SMILESCC1=CC=CC(C)(C)CC1=O

Properties

Molecular FormulaC10H14O
Molecular Weight150.22
Exact Mass150.10447
Log P (ALogP)2.49
TPSA17.07
H-Bond Donors / Acceptors0 / 1
Rotatable Bonds0
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.52
NP-likeness2.48

Classification

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

Reported in GR-MAPs Plants

Ocimum sanctum as “Ocimum tenuiflorum” in COCONUT
Rosmarinus officinalis as “Rosmarinus officinalis” in COCONUT
Ocimum tenuiflorum as “Ocimum tenuiflorum” in COCONUT
Crocus sativus as “Crocus sativus” in COCONUT

References (15)

  1. 10.1007/BF00598429
  2. 10.1016/0305-1978(85)90037-7
  3. 10.1016/S0031-9422(00)82268-2
  4. 10.1021/JF000922L
  5. 10.1021/JF0402633
  6. 10.1021/NP50039A032
  7. 10.1055/S-2006-957489
  8. 10.1055/S-2006-960126
  9. 10.1055/S-2007-969917
  10. 10.1076/PHBI.40.1.67.5852
  11. 10.1080/10412905.1998.9701001
  12. 10.1248/YAKUSHI1881.51.10_862
  13. 10.1248/YAKUSHI1881.51.1_8
  14. 10.1248/YAKUSHI1947.87.12_1535
  15. 10.3390/MOLECULES21111576

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.