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
1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene
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
17.227697311027917
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 as Food Phytochemical

Family
Terpenoids
Class
Monoterpenoids
Sub-class
Not Available

Taxonomy as Metabolite

Metabolite Family
Terpenoid metabolites
Metabolite Class
Monoterpenoid metabolites
Metabolite Sub-class
Not Available

Taxonomy of its Food Phytochemical Precursor(s)

Food PhytochemicalFamilyClassSub-class
MyrceneTerpenoidsMonoterpenoidsNot AvailableShow Food Phytochemical

Spectra from Online Resources

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

NameGroup
AppleFruit, Pomes PublicationsShow
DillHerbs and SpicesShow
GinsengHerbs and Spices PublicationsShow
GrapeFruit, Berries PublicationsShow
Grape wineBeverages, Alcoholic PublicationsShow
LemonFruit, Citrus PublicationsShow
Mandarin orange (Clementine, Tangerine)Fruit, Citrus PublicationsShow
MintHerbs and Spices PublicationsShow
NutmegHerbs and SpicesShow
Orange juiceBeverages, Non-alcoholic PublicationsShow
PepperHerbs and SpicesShow
PeppermintHerbs and Spices PublicationsShow
Star aniseHerbs and Spices PublicationsShow
Sweet orangeFruit, Citrus PublicationsShow

Food Sources of its Food Phytochemical(s)

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Limonene Carvonedog guinea pig rabbiturineNot AvailableNot AvailableNot AvailableNot AvailableC10H14O150.104465071 Publications
Limonene Perillyl alcoholhuman raturineNot AvailableNot AvailableNot AvailableNot AvailableC10H16O152.120115135 Publications
Limonene Carveolhuman rabbit raturineNot AvailableNot AvailableNot AvailableNot AvailableC10H16O152.120115135 Publications
Limonene Limonene-1,2-diolhuman ratplasmaNot AvailableNot AvailableNot AvailableNot AvailableC10H18O2170.13067982 Publications
Limonene Limonene-8,9-dioldog human rabbit ratplasma, urineNot AvailableNot AvailableNot AvailableNot AvailableC10H18O2170.13067982 Publications
Limonene Limonene-8,9-diol glucuronidedog human rabbit raturineNot AvailableNot AvailableNot AvailableNot AvailableC16H26O8346.162767797 Publications
Limonene Limonene-10-oldog human rabbit raturineNot AvailableNot AvailableNot AvailableNot AvailableC10H16O152.120115135 Publications
Limonene Limonene-10-ol-glucuronidedog human mouse rabbit raturineNot AvailableNot AvailableNot AvailableNot AvailableC16H24O7328.152203113 Publications
Limonene Perillic aciddog guinea pig human mouse rabbit ratplasma, urineNot AvailableNot AvailableNot AvailableNot AvailableC10H14O2166.099379691 Publications
Limonene Perillic acid glucuronideguinea pig human mouse rabbit raturineNot AvailableNot AvailableNot AvailableNot AvailableC16H22O8342.131467668 Publications
Limonene Perillyl glycinedog mouse rabbit raturineNot AvailableNot AvailableNot AvailableNot AvailableC12H17NO3223.120843411 Publications
Limonene Perillic acid-8,9-dioldog rabbit raturineNot AvailableNot AvailableNot AvailableNot AvailableC10H16O4200.104858995 Publications
Limonene Dihydroperillic acid (trans-)human mouse ratplasma, urineNot AvailableNot AvailableNot AvailableNot AvailableC10H16O2168.115029755 Publications
Limonene Dihydroperillic acid (cis-)human ratplasma, urineNot AvailableNot AvailableNot AvailableNot AvailableC10H16O2168.115029755 Publications
Limonene Dihydroperillic acid glucuronide (trans-)human mouseurineNot AvailableNot AvailableNot AvailableNot AvailableC16H24O8344.147117733 Publications
Limonene Dihydroperillic acid glucuronide (cis-)humanurineNot AvailableNot AvailableNot AvailableNot AvailableC16H24O8344.147117733 Publications
Limonene p-mentha-1,8-dien-carboxylic-acidhuman ratplasmaNot AvailableNot AvailableNot AvailableNot AvailableC10H14O2166.099379691 Publications
Limonene Limonene-1,2-epoxideNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableC10H16O152.120115135
Limonene Limonene-1,2-glycolNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableC10H18O2170.13067982
Limonene Limonene-8,9-epoxideNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableC10H16O152.120115135
Limonene dihydroxy-p-mentha-8-en-7-oic acid glucuronideratNot AvailableunknownNot AvailableNot AvailableNot AvailableC16H26O10378.152597037 Publications
Limonene 8,9-dihydroxy-p-mentha-1-en-7-oic acid glucuronidemouse ratNot AvailableunknownNot AvailableNot AvailableNot AvailableC16H24O10376.136946973 Publications
Limonene hydroxy-p-menthan-7-oic acidratNot AvailableunknownNot AvailableNot AvailableNot AvailableC10H18O3186.12559444 Publications
Limonene hydroxy-p-menthan-7-oic acid glucuronideratNot AvailableunknownNot AvailableNot AvailableNot AvailableC16H26O9362.157682417 Publications
Limonene hydroxy-p-menth-8-en-7-oic acid glucuronide IratNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableC16H24O9360.142032353 Publications
Limonene hydroxy-p-menth-8-en-7-oic acid glucuronide IIratNot AvailableunknownNot AvailableNot AvailableNot AvailableC16H24O9360.142032353 Publications
Limonene hydroxy-p-menth-8-en-7-oic acid glycine IratNot AvailableunknownNot AvailableNot AvailableNot AvailableC11H17NO4227.115758031 Publications
Limonene hydroxy-p-menth-8-en-7-oic acid glycine IIratNot AvailableunknownNot AvailableNot AvailableNot AvailableC12H19NO4241.131408096 Publications
Limonene Perillic acid sulfatemouse ratNot AvailableunknownNot AvailableNot AvailableNot AvailableC10H14O5S246.056194725 Publications
Limonene Limonene-1,2-diol glucuronide IratNot AvailableunknownNot AvailableNot AvailableNot AvailableC16H26O8346.162767797 Publications
Limonene Limonene-1,2-diol glucuronide IImouse ratNot AvailableunknownNot AvailableNot AvailableNot AvailableC16H26O8346.162767797 Publications
Limonene Limonene-8,9-diol glucuronide Ihuman mouse ratNot AvailableunknownNot AvailableNot AvailableNot AvailableC16H26O8346.162767797 Publications
Limonene Limonene-8,9-diol glucuronide IImouse ratNot AvailableunknownNot AvailableNot AvailableNot AvailableC16H26O8346.162767797 Publications
Limonene 8,9-dihydroxy-p-menthan-7-oic aciddog guinea pig human rabbit ratNot AvailableunknownNot AvailableNot AvailableNot AvailableC10H18O4202.12050906 Publications
Limonene 8,9-dihydroxy-p-menthan-7-oic acid glucuronidemouse ratNot AvailableunknownNot AvailableNot AvailableNot AvailableC16H26O10378.152597037 Publications
Limonene 8,9-dihydroxy-p-menthan-7-oic acid glucuronide IImouse ratNot AvailableunknownNot AvailableNot AvailableNot AvailableC16H26O10378.152597037 Publications
Limonene 8,9-dihydroxy-p-menthan-7-oic acid glucuronide IIImouse ratNot AvailableunknownNot AvailableNot AvailableNot AvailableC16H26O10378.152597037 Publications
Limonene 8,9-epoxy-p-menth-1eneratNot AvailableunknownNot AvailableNot AvailableNot AvailableC10H16O152.120115135 Publications
Limonene Dihydrocarveol glucuronideratNot AvailableunknownNot AvailableNot AvailableNot AvailableC16H26O7330.167853177 Publications
Limonene Perillyl-beta-D-glucuronideNot AvailableNot AvailableunknownNot AvailableNot AvailableNot AvailableC16H24O7328.152203113 Publications
Limonene p-menth-2,8-dien-1-olratNot AvailableunknownNot AvailableNot AvailableNot AvailableC10H16O152.120115135 Publications
Limonene dihydroperillic acid methyl esterhumanNot AvailableunknownNot AvailableNot AvailableNot AvailableC11H18O2182.13067982 Publications
Limonene perillic acid methyl esterhumanNot AvailableunknownNot AvailableNot AvailableNot AvailableC11H16O2180.115029755 Publications
Limonene Perillic acid-8,9-diol glucuronidemouse ratNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableC16H24O10376.136946973 Publications
Myrcene LimonenerabbiturineNot AvailableNot AvailableNot AvailableNot AvailableC10H16136.125200515 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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