metabolite

Showing entry for hydroxy-p-menth-8-en-7-oic acid glycine I

Identification

PhytoHub ID
PHUB002616
Name
hydroxy-p-menth-8-en-7-oic acid glycine I
Systematic Name
2-hydroxy-p-menth-8-en-7-oic acid glycine
Synonyms
  • 2-hydroxy-p-menth-8-enoic-7-glycine
CAS Number
Not Available
Average Mass
227.26
Monoisotopic Mass
227.115758031
Chemical Formula
C11H17NO4
IUPAC Name
[2-hydroxy-4-(prop-1-en-2-yl)cyclohexanecarbonyl]carbamic acid
InChI Key
CVDBZFRQEKWTLE-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C11H17NO4/c1-6(2)7-3-4-8(9(13)5-7)10(14)12-11(15)16/h7-9,13H,1,3-5H2,2H3,(H,12,14)(H,15,16)
SMILES
CC(=C)C1CCC(C(O)C1)C(=O)NC(O)=O
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
1.39e+01 g/l
LogS (ALOGPS)
-1.21
LogP (ALOGPS)
0.56
Hydrogen Acceptors
4
Hydrogen Donors
3
Rotatable Bond Count
2
Polar Surface Area
86.63000000000001
Refractivity
57.079699999999995
Polarizability
23.603408383872292
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-2.924878648719875
pKa (strongest acidic)
3.885283154226569
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

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 hydroxy-p-menth-8-en-7-oic acid glycine IratNot AvailableunknownNot AvailableNot AvailableNot AvailableC11H17NO4227.115758031 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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