Identification

PhytoHub ID
PHUB000051
Name
Limonene
Synonyms
  • Cajeputen
  • Cinene
  • Kautschin
CAS Number
Not Available
Average Mass
136.238
Monoisotopic Mass
136.125200515
Chemical Formula
C10H16
IUPAC Name
limonene, (+)-
InChI Key
XMGQYMWWDOXHJM-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3
SMILES
CC(=C)C1CCC(C)=CC1
Structure

Calculated Properties

Solubility (ALOGPS)
4.57e-01 g/l
LogS (ALOGPS)
-2.47
LogP (ALOGPS)
4.50
Hydrogen Acceptors
0
Hydrogen Donors
0
Rotatable Bond Count
1
Polar Surface Area
0.0
Refractivity
46.4803
Polarizability
17.54813346687505
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
Not Available
pKa (strongest acidic)
Not Available
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Taxonomy

Family
Terpenoids
Class
Monoterpenoids
Sub-class
Not Available

Spectra

Record IDSourceDescriptionView
JP000247MassBankEI-B Spectrum - -, [M]+*View Spectra
JP002318MassBankEI-B Spectrum - -, [M]+*View Spectra
JP004717MassBankEI-B Spectrum - -, [M]+*View Spectra
JP006892MassBankEI-B Spectrum - -, [M]+*View Spectra
JP007559MassBankEI-B Spectrum - -, [M]+*View Spectra
JP011073MassBankEI-B Spectrum - -, [M]+*View Spectra

Food Sources

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Limonene Carvonedog guinea pig rabbiturineC10H14O150.104465071 Publications
Limonene Perillyl alcoholhuman raturineC10H16O152.120115135 Publications
Limonene Carveol (trans-)rabbit raturineC10H16O152.120115135 Publications
Limonene Limonene-1,2-diolhuman ratplasmaC10H18O2170.13067982 Publications
Limonene Limonene-8,9-dioldog human rabbit ratplasma, urineC10H18O2170.13067982 Publications
Limonene Limonene-8,9-diol glucuronidedog human rabbit raturineC16H26O8346.162767797 Publications
Limonene Limonene-10-oldog human rabbit raturineC10H16O152.120115135 Publications
Limonene Limonene-10-ol-glucuronidedog human rabbit raturineC16H24O7328.152203113 Publications
Limonene Perillic aciddog human rabbit ratplasma, urineC10H14O2166.099379691 Publications
Limonene Perillic acid glucuronidehuman rabbit raturineC16H22O8342.131467668 Publications
Limonene Perillyl glycinedog rabbit raturineC12H17NO3223.120843411 Publications
Limonene Perillic acid-8,9-dioldog rabbit raturineC10H16O4200.104858995 Publications
Limonene Dihydroperillic acid (trans-)human ratplasma, urineC10H16O2168.115029755 Publications
Limonene Dihydroperillic acid (cis-)human ratplasma, urineC10H16O2168.115029755 Publications
Limonene Dihydroperillic acid glucuronide (trans-)humanurineC16H24O8344.147117733 Publications
Limonene Dihydroperillic acid glucuronide (cis-)humanurineC16H24O8344.147117733 Publications
Limonene p-mentha-1,8-dien-carboxylic-acidhuman ratplasmaC10H14O2166.099379691 Publications
Limonene Limonene-1,2-epoxideNot AvailableNot AvailableC10H16O152.120115134
Limonene Limonene-1,2-glycolNot AvailableNot AvailableC10H18O2170.13067982
Limonene Limonene-8,9-epoxideNot AvailableNot AvailableC10H16O152.120115135
Myrcene LimonenerabbiturineC10H16136.125200515 Publications
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