Identification

PhytoHub ID
PHUB001018
Name
Menthane (3,8-dihydroxy-p-, 7-carboxylic acid)
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
202.25
Monoisotopic Mass
202.12050906
Chemical Formula
C10H18O4
IUPAC Name
3-hydroxy-4-(2-hydroxypropan-2-yl)cyclohexane-1-carboxylic acid
InChI Key
BINZTUGHCIRHLP-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H18O4/c1-10(2,14)7-4-3-6(9(12)13)5-8(7)11/h6-8,11,14H,3-5H2,1-2H3,(H,12,13)
SMILES
CC(C)(O)C1CCC(CC1O)C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
4.55e+01 g/l
LogS (ALOGPS)
-0.65
LogP (ALOGPS)
0.37
Hydrogen Acceptors
4
Hydrogen Donors
3
Rotatable Bond Count
2
Polar Surface Area
77.76
Refractivity
50.87389999999999
Polarizability
21.54644048785333
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-2.8041821894323684
pKa (strongest acidic)
4.540973534949695
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
(-)-Menthol Menthane (3,8-dihydroxy-p-, 7-carboxylic acid)raturineNot AvailableNot AvailableNot AvailableNot AvailableC10H18O4202.12050906 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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