Identification

PhytoHub ID
PHUB001016
Name
Menthol glucuronide
Synonyms
Not Available
CAS Number
Not Available
Average Mass
332.393
Monoisotopic Mass
332.183503242
Chemical Formula
C16H28O7
IUPAC Name
3,4,5-trihydroxy-6-{[(2R)-2-isopropyl-5-methylcyclohexyl]oxy}oxane-2-carboxylic acid
InChI Key
CLJGMBYGTHRUNF-PJOPELHJSA-N
InChI Identifier
InChI=1S/C16H28O7/c1-7(2)9-5-4-8(3)6-10(9)22-16-13(19)11(17)12(18)14(23-16)15(20)21/h7-14,16-19H,4-6H2,1-3H3,(H,20,21)/t8?,9-,10?,11?,12?,13?,14?,16?/m1/s1
SMILES
CC(C)[C@H]1CCC(C)CC1OC1OC(C(O)C(O)C1O)C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
1.12e+01 g/l
LogS (ALOGPS)
-1.47
LogP (ALOGPS)
1.00
Hydrogen Acceptors
7
Hydrogen Donors
4
Rotatable Bond Count
4
Polar Surface Area
116.45
Refractivity
79.726
Polarizability
35.06491939228449
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-3.686499362428963
pKa (strongest acidic)
3.91105942596735
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Precursor Taxonomy

PrecursorFamilyClassSub-class
MentholTerpenoidsMonoterpenoidsNot AvailableShow Precursor

Spectra

No spectra information available

Food Sources

PrecursorFood SourceFood Source Group
MentholPeppermintHerbs and Spices PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluids
Menthol Menthol glucuronidehuman ratplasma (major), urine (major) Publications
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