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-UHFFFAOYNA-N
InChI Identifier
InChI=1/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

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
Terpenoids
Class
Monoterpenoids
Sub-class
Not Available

Taxonomy of its Precursor(s)

PrecursorFamilyClassSub-class
LimoneneTerpenoidsMonoterpenoidsNot AvailableShow Precursor

Spectra from Online Resources

No spectra information available

Food Sources

No food source information available

Food Sources of its Precursor(s)

Metabolism

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