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
Terpenoids
Class
Monoterpenoids
Sub-class
Not Available

Taxonomy of its Precursor(s)

PrecursorFamilyClassSub-class
MentholTerpenoidsMonoterpenoidsNot AvailableShow Precursor

Spectra

No spectra information available

Food Sources

No food source information available

Food Sources of its Precursor(s)

PrecursorFood SourceFood Source Group
MentholPeppermintHerbs and Spices PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Menthol Menthane (3-hydroxy-p-, 9-carboxylic acid)raturineNot AvailableNot AvailableNot AvailableNot AvailableC11H20O3200.141244504 Publications

Inter-Individual Variations Metabolism

No inter-individual variations available

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