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COCONUT Compound

1,8-Cineole

CNP0160255.1 · C10H18O · View on COCONUT ↗

2D Structure

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Identifiers

Name1,8-Cineole
IUPAC Name1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
COCONUT IDCNP0160255.1
InChIKeyWEEGYLXZBRQIMU-WAAGHKOSSA-N
InChIInChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3/t8-,10+
SMILESCC1(C)O[C@]2(C)CC[C@H]1CC2

Properties

Molecular FormulaC10H18O
Molecular Weight154.25
Exact Mass154.13577
Log P (ALogP)2.74
TPSA9.23
H-Bond Donors / Acceptors0 / 1
Rotatable Bonds0
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.52
NP-likeness2.78

Classification

NP PathwayTerpenoids
NP SuperclassMonoterpenoids
NP ClassMenthane monoterpenoids
Chemical SuperclassOrganoheterocyclic compounds
Chemical ClassOxanes
Chemical SubclassOxanes

Reported in GR-MAPs Plants

Ocimum basilicum as “Ocimum basilicum” in COCONUT
Arabidopsis thaliana as “Arabidopsis thaliana” in COCONUT
Matricaria chamomilla as “Chamomilla recutita; Matricaria chamomilla” in COCONUT
Artemisia annua as “Artemisia annua” in COCONUT
Mentha piperita as “Mentha piperita; Mentha piperita L.” in COCONUT
Rosmarinus officinalis as “Rosmarinus officinalis” in COCONUT
Mentha Arvensis as “Mentha arvensis L.” in COCONUT

References (75)

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Showing 40 of 75. 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.