metabolite

Showing entry for Perillyl glycine

Identification

PhytoHub ID
PHUB000998
Name
Perillyl glycine
Systematic Name
p-mentha-1,8-dien-7-oic acid glycine
Synonyms
Not Available
CAS Number
Not Available
Average Mass
223.272
Monoisotopic Mass
223.120843411
Chemical Formula
C12H17NO3
IUPAC Name
2-[(Z)-{hydroxy[4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methylidene}amino]acetic acid
InChI Key
OEPVVGSSFNHCPB-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C12H17NO3/c1-8(2)9-3-5-10(6-4-9)12(16)13-7-11(14)15/h5,9H,1,3-4,6-7H2,2H3,(H,13,16)(H,14,15)
SMILES
CC(=C)C1CCC(=CC1)C(\O)=N\CC(O)=O
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
4.06e-01 g/l
LogS (ALOGPS)
-2.74
LogP (ALOGPS)
1.85
Hydrogen Acceptors
4
Hydrogen Donors
2
Rotatable Bond Count
4
Polar Surface Area
69.89
Refractivity
61.52270000000001
Polarizability
24.450320884589193
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
2.3892687130588786
pKa (strongest acidic)
3.9472808030942566
Number of Rings
1
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
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

No spectra information available

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 glycinedog mouse rabbit raturineNot AvailableNot AvailableNot AvailableNot AvailableC12H17NO3223.120843411 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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