Identification

PhytoHub ID
PHUB001020
Name
Menthane (3-hydroxy-p-, 9-carboxylic acid)
Systematic Name
Not Available
Synonyms
  • 3-(2-hydroxy-4-methylcyclohexyl)butanoic acid
CAS Number
Not Available
Average Mass
200.278
Monoisotopic Mass
200.141244504
Chemical Formula
C11H20O3
IUPAC Name
3-(2-hydroxy-4-methylcyclohexyl)butanoic acid
InChI Key
RZDAUSHWMAGQJS-UHFFFAOYNA-N
InChI Identifier
InChI=1/C11H20O3/c1-7-3-4-9(10(12)5-7)8(2)6-11(13)14/h7-10,12H,3-6H2,1-2H3,(H,13,14)
SMILES
CC(CC(O)=O)C1CCC(C)CC1O
Structure

Calculated Properties

Solubility (ALOGPS)
2.97e+00 g/l
LogS (ALOGPS)
-1.83
LogP (ALOGPS)
1.87
Hydrogen Acceptors
3
Hydrogen Donors
2
Rotatable Bond Count
3
Polar Surface Area
57.53
Refractivity
53.71169999999999
Polarizability
22.456758270410234
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-0.7851752851873925
pKa (strongest acidic)
4.8534575508423154
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
(-)-MentholTerpenoidsMonoterpenoidsNot 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
(-)-MentholMintHerbs and Spices PublicationsShow
(-)-MentholPeppermintHerbs and Spices PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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