Identification

PhytoHub ID
PHUB002612
Name
hydroxy-p-menthan-7-oic acid
Systematic Name
2-hydroxy-p-menthan-7-oic acid
Synonyms
Not Available
CAS Number
Not Available
Average Mass
186.251
Monoisotopic Mass
186.12559444
Chemical Formula
C10H18O3
IUPAC Name
2-hydroxy-4-(propan-2-yl)cyclohexane-1-carboxylic acid
InChI Key
CEYDJYILNZYIBH-UHFFFAOYNA-N
InChI Identifier
InChI=1/C10H18O3/c1-6(2)7-3-4-8(10(12)13)9(11)5-7/h6-9,11H,3-5H2,1-2H3,(H,12,13)
SMILES
CC(C)C1CCC(C(O)C1)C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
8.42e+00 g/l
LogS (ALOGPS)
-1.34
LogP (ALOGPS)
1.28
Hydrogen Acceptors
3
Hydrogen Donors
2
Rotatable Bond Count
2
Polar Surface Area
57.53
Refractivity
49.059599999999996
Polarizability
20.828546600414683
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-2.9358285998406854
pKa (strongest acidic)
4.71567309276215
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 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-menthan-7-oic acidratNot AvailableunknownNot AvailableNot AvailableNot AvailableC10H18O3186.12559444 Publications

Inter-Individual Variations Metabolism

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