metabolite

Showing entry for Perillyl alcohol

Identification

PhytoHub ID
PHUB000075
Name
Perillyl alcohol
Systematic Name
p-mentha-1,8-dien-7-ol
Synonyms
Not Available
CAS Number
Not Available
Average Mass
152.237
Monoisotopic Mass
152.120115135
Chemical Formula
C10H16O
IUPAC Name
[4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol
InChI Key
NDTYTMIUWGWIMO-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3
SMILES
CC(=C)C1CCC(CO)=CC1
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
1.90e+00 g/l
LogS (ALOGPS)
-1.90
LogP (ALOGPS)
2.50
Hydrogen Acceptors
1
Hydrogen Donors
1
Rotatable Bond Count
2
Polar Surface Area
20.23
Refractivity
48.254999999999995
Polarizability
18.192700290685636
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-1.986736242852114
pKa (strongest acidic)
16.85657008950134
Number of Rings
1
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
No
Veber's Rule
Yes
MDDR-like Rule
No

Taxonomy as Metabolite

Family
Terpenoid metabolites
Class
Monoterpenoid metabolites
Sub-class
Not Available

Taxonomy of its Food Phytochemical Precursor(s)

Food PhytochemicalFamilyClassSub-class
LimoneneTerpenoidsMonoterpenoidsNot AvailableShow Food Phytochemical

Spectra from Online Resources

Record IDSourceDescriptionView
JP000133MassBankEI-B Spectrum - -, [M]+*View Spectra
JP005732MassBankEI-B Spectrum - -, [M]+*View Spectra
JP006591MassBankEI-B Spectrum - -, [M]+*View Spectra
JP006607MassBankEI-B Spectrum - -, [M]+*View Spectra
JP006682MassBankEI-B Spectrum - -, [M]+*View Spectra
JP009069MassBankEI-B Spectrum - -, [M]+*View Spectra
JP010926MassBankEI-B Spectrum - -, [M]+*View Spectra

Spectra from Phytohub

Spectrum TypeDescriptionSplash KeyDeposition DateView

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

Food PhytochemicalFood SourceFood Source Group
LimoneneAppleFruit, Pomes PublicationsShow
LimoneneDillHerbs and SpicesShow
LimoneneGinsengHerbs and Spices PublicationsShow
LimoneneGrapeFruit, Berries PublicationsShow
LimoneneGrape wineBeverages, Alcoholic PublicationsShow
LimoneneLemonFruit, Citrus PublicationsShow
LimoneneMandarin orange (Clementine, Tangerine)Fruit, Citrus PublicationsShow
LimoneneMintHerbs and Spices PublicationsShow
LimoneneNutmegHerbs and SpicesShow
LimoneneOrange juiceBeverages, Non-alcoholic PublicationsShow
LimonenePepperHerbs and SpicesShow
LimonenePeppermintHerbs and Spices PublicationsShow
LimoneneStar aniseHerbs and Spices PublicationsShow
LimoneneSweet orangeFruit, Citrus PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Limonene Perillyl alcoholhuman raturineNot AvailableNot AvailableNot AvailableNot AvailableC10H16O152.120115135 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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