metabolite

Showing entry for Menthane (3,8-oxy-p-, 7-carboxylic acid)

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
RIIGXCBSCSKGKB-UHFFFAOYSA-N
InChI Identifier
InChI=1S/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
Similar Structures

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
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

Spectra from Phytohub

Spectrum TypeDescriptionSplash KeyDeposition DateView

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

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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