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
NDTYTMIUWGWIMO-SNVBAGLBSA-N
InChI Identifier
InChI=1S/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 Phytohub

Spectrum TypeInstrument TypeIon ModeCollision Energy LevelViewPeaks

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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