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COCONUT Compound

(-)-Limonene

CNP0282017.1 · C10H16 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Name(-)-Limonene
IUPAC Name(4~{S})-4-isopropenyl-1-methyl-cyclohexene
COCONUT IDCNP0282017.1
CAS5989-54-8
InChIKeyXMGQYMWWDOXHJM-SNVBAGLBSA-N
InChIInChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m1/s1
SMILESC=C(C)[C@@H]1CC=C(C)CC1

Properties

Molecular FormulaC10H16
Molecular Weight136.24
Exact Mass136.12520
Log P (ALogP)3.31
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.49
NP-likeness2.36

Classification

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

Reported in GR-MAPs Plants

Artemisia annua as “Artemisia annua L.” in COCONUT
Foeniculum vulgare as “Foeniculum vulgare; Foeniculum vulgare Mill.” in COCONUT
Mentha piperita as “Mentha Piperita” in COCONUT
Daucus carota as “Daucus carota” in COCONUT
Rosmarinus officinalis as “Rosmarinus officinalis L.” in COCONUT
Mentha Arvensis as “Mentha arvensis” in COCONUT
Salvia officinalis as “Salvia officinalis” in COCONUT
Vitex negundo as “Vitex negundo” in COCONUT
Cassia angustifolia as “Senna alexandrina” in COCONUT
Chlorophytum brovillianum as “Chlorophytum borivilianum” in COCONUT
Crocus sativus as “Crocus sativus” in COCONUT
Emblica officinalis as “Phyllanthus emblica” in COCONUT
Gossypium hirsutum as “Gossypium hirsutum” in COCONUT

References (51)

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Showing 40 of 51. 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.