Identification

PhytoHub ID
PHUB001017
Name
Menthane (3,8-oxy-p-, 7-carboxylic acid)
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
184.235
Monoisotopic Mass
184.109944375
Chemical Formula
C10H16O3
IUPAC Name
8,8-dimethyl-7-oxabicyclo[4.2.0]octane-4-carboxylic acid
InChI Key
JJEXPXIJOIGQOA-UHFFFAOYNA-N
InChI Identifier
InChI=1/C10H16O3/c1-10(2)7-4-3-6(9(11)12)5-8(7)13-10/h6-8H,3-5H2,1-2H3,(H,11,12)
SMILES
CC1(C)OC2CC(CCC12)C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
4.64e+00 g/l
LogS (ALOGPS)
-1.60
LogP (ALOGPS)
1.81
Hydrogen Acceptors
3
Hydrogen Donors
1
Rotatable Bond Count
1
Polar Surface Area
46.53
Refractivity
47.3638
Polarizability
20.31361804468659
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-4.189646733687148
pKa (strongest acidic)
4.565439804085872
Number of Rings
2
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-oxy-p-, 7-carboxylic acid)raturineNot AvailableNot AvailableNot AvailableNot AvailableC10H16O3184.109944375 Publications

Inter-Individual Variations Metabolism

No inter-individual variations available

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