Identification

PhytoHub ID
PHUB000051
Name
Limonene
Systematic Name
Not Available
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-UHFFFAOYNA-N
InChI Identifier
InChI=1/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
17.227697311027967
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
Not Available
pKa (strongest acidic)
Not Available
Number of Rings
1
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
No
Veber's Rule
Yes
MDDR-like Rule
No

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

PrecursorMetaboliteSpeciesBiofluidsOriginFormulaMonoisotopic mass
Limonene Carvonedog guinea pig rabbiturineNot AvailableC10H14O150.104465071 Publications
Limonene Perillyl alcoholhuman raturineNot AvailableC10H16O152.120115135 Publications
Limonene Carveolrabbit raturineNot AvailableC10H16O152.120115135 Publications
Limonene Limonene-1,2-diolhuman ratplasmaNot AvailableC10H18O2170.13067982 Publications
Limonene Limonene-8,9-dioldog human rabbit ratplasma, urineNot AvailableC10H18O2170.13067982 Publications
Limonene Limonene-8,9-diol glucuronidedog human rabbit raturineNot AvailableC16H26O8346.162767797 Publications
Limonene Limonene-10-oldog human rabbit raturineNot AvailableC10H16O152.120115135 Publications
Limonene Limonene-10-ol-glucuronidedog human rabbit raturineNot AvailableC16H24O7328.152203113 Publications
Limonene Perillic aciddog human rabbit ratplasma, urineNot AvailableC10H14O2166.099379691 Publications
Limonene Perillic acid glucuronidehuman rabbit raturineNot AvailableC16H22O8342.131467668 Publications
Limonene Perillyl glycinedog rabbit raturineNot AvailableC12H17NO3223.120843411 Publications
Limonene Perillic acid-8,9-dioldog rabbit raturineNot AvailableC10H16O4200.104858995 Publications
Limonene Dihydroperillic acid (trans-)human ratplasma, urineNot AvailableC10H16O2168.115029755 Publications
Limonene Dihydroperillic acid (cis-)human ratplasma, urineNot AvailableC10H16O2168.115029755 Publications
Limonene Dihydroperillic acid glucuronide (trans-)humanurineNot AvailableC16H24O8344.147117733 Publications
Limonene Dihydroperillic acid glucuronide (cis-)humanurineNot AvailableC16H24O8344.147117733 Publications
Limonene p-mentha-1,8-dien-carboxylic-acidhuman ratplasmaNot AvailableC10H14O2166.099379691 Publications
Limonene Limonene-1,2-epoxideNot AvailableNot AvailableNot AvailableC10H16O152.120115135
Limonene Limonene-1,2-glycolNot AvailableNot AvailableNot AvailableC10H18O2170.13067982
Limonene Limonene-8,9-epoxideNot AvailableNot AvailableNot AvailableC10H16O152.120115135
Myrcene LimonenerabbiturineNot AvailableC10H16136.125200515 Publications
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