precursor metabolite

Showing entry for Limonene

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
MOLSDF3D-SDFPDBSMILESInChI View 3D 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

NameGroup
AppleFruit, Pomes PublicationsShow
DillHerbs and SpicesShow
GrapeFruit, Berries PublicationsShow
Grape wineBeverages, Alcoholic PublicationsShow
LemonFruit, Citrus PublicationsShow
Mandarin orange (Clementine, Tangerine)Fruit, Citrus PublicationsShow
NutmegHerbs and SpicesShow
Orange juiceBeverages, Non-alcoholic PublicationsShow
PepperHerbs and SpicesShow
Sweet orangeFruit, Citrus PublicationsShow
PrecursorFood SourceFood Source Group
MyrceneAppleFruit, Pomes PublicationsShow
MyrceneGrapeFruit, Berries PublicationsShow
MyrceneGrape wineBeverages, Alcoholic PublicationsShow
MyrceneMandarin orange (Clementine, Tangerine)Fruit, Citrus PublicationsShow
MyrceneParsleyHerbs and Spices PublicationsShow

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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