Identification

PhytoHub ID
PHUB001012
Name
Menthane (3-Hydroxy-p-, 7-carboxylic acid)
Systematic Name
Not Available
Synonyms
  • 2-[3-hydroxy-4-(propan-2-yl)cyclohexyl]acetic acid
CAS Number
Not Available
Average Mass
186.251
Monoisotopic Mass
186.12559444
Chemical Formula
C10H18O3
IUPAC Name
3-hydroxy-4-isopropylcyclohexane-1-carboxylic acid
InChI Key
PSJWHBLMRRRGQW-UHFFFAOYNA-N
InChI Identifier
InChI=1/C10H18O3/c1-6(2)8-4-3-7(10(12)13)5-9(8)11/h6-9,11H,3-5H2,1-2H3,(H,12,13)
SMILES
CC(C)C1CCC(CC1O)C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
1.24e+01 g/l
LogS (ALOGPS)
-1.18
LogP (ALOGPS)
1.18
Hydrogen Acceptors
3
Hydrogen Donors
2
Rotatable Bond Count
2
Polar Surface Area
57.53
Refractivity
49.136599999999994
Polarizability
20.74825246475253
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-2.836856993132443
pKa (strongest acidic)
4.750389977075616
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-, 7-carboxylic acid)raturineNot AvailableNot AvailableNot AvailableNot AvailableC10H18O3186.12559444 Publications

Inter-Individual Variations Metabolism

No inter-individual variations available

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