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
RIIGXCBSCSKGKB-UHFFFAOYNA-N
InChI Identifier
InChI=1/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
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 (3,8-dihydroxy-p-, 7-carboxylic acid)raturineNot AvailableNot AvailableNot AvailableNot AvailableC10H18O4202.12050906 Publications

Inter-Individual Variations Metabolism

No inter-individual variations available

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