Identification

PhytoHub ID
PHUB002617
Name
hydroxy-p-menth-8-en-7-oic acid glycine II
Systematic Name
2-hydroxy-p-menth-8-en-7-oic acid glycine
Synonyms
  • p-menth-8-en-7-oic acid-2-glycine
CAS Number
Not Available
Average Mass
241.287
Monoisotopic Mass
241.131408096
Chemical Formula
C12H19NO4
IUPAC Name
2-[(carboxymethyl)amino]-4-(prop-1-en-2-yl)cyclohexane-1-carboxylic acid
InChI Key
FYTKPOBWNNNMOU-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C12H19NO4/c1-7(2)8-3-4-9(12(16)17)10(5-8)13-6-11(14)15/h8-10,13H,1,3-6H2,2H3,(H,14,15)(H,16,17)
SMILES
CC(=C)C1CCC(C(C1)NCC(O)=O)C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
5.46e+00 g/l
LogS (ALOGPS)
-1.65
LogP (ALOGPS)
-0.65
Hydrogen Acceptors
5
Hydrogen Donors
3
Rotatable Bond Count
5
Polar Surface Area
86.63
Refractivity
61.3538
Polarizability
25.569850468719242
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
11.384729643910491
pKa (strongest acidic)
1.931824466069225
Number of Rings
1
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
No
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)

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 IIratNot AvailableunknownNot AvailableNot AvailableNot AvailableC12H19NO4241.131408096 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
Back