PhytoHub: Showing entry for 8-hydroxymenthol-3-glucuronide

8-hydroxymenthol-3-glucuronide

Identification

PhytoHub ID

PHUB001021

Name

8-hydroxymenthol-3-glucuronide

Systematic Name

p-menthane-8-ol-3-glucuronide

Synonyms

Menthane-3,8-diol glucuronide (p-)

CAS Number

Not Available

Average Mass

348.392

Monoisotopic Mass

348.178417862

Chemical Formula

C₁₆H₂₈O₈

IUPAC Name

3,4,5-trihydroxy-6-{[2-(2-hydroxypropan-2-yl)-5-methylcyclohexyl]oxy}oxane-2-carboxylic acid

InChI Key

WFMMSESEUZVZOV-UHFFFAOYNA-N

InChI Identifier

InChI=1/C16H28O8/c1-7-4-5-8(16(2,3)22)9(6-7)23-15-12(19)10(17)11(18)13(24-15)14(20)21/h7-13,15,17-19,22H,4-6H2,1-3H3,(H,20,21)

SMILES

CC1CCC(C(C1)OC1OC(C(O)C(O)C1O)C(O)=O)C(C)(C)O

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): Not Available
LogS (ALOGPS): Not Available
LogP (ALOGPS): Not Available
Hydrogen Acceptors: 8
Hydrogen Donors: 5
Rotatable Bond Count: 4
Polar Surface Area: 136.68
Refractivity: 81.46329999999999
Polarizability: 35.32154901621906
Formal Charge: 0
Physiological Charge: Not Available
pKa (strongest basic): -2.80445074143604
pKa (strongest acidic): 3.8135616761072346
Number of Rings: Not Available
Rule of Five: No
Bioavailability: No
Ghose Filter: No
Veber's Rule: No
MDDR-like Rule: No

External Links

No external links

Taxonomy as Metabolite

Family: Terpenoid metabolites
Class: Monoterpenoid metabolites
Sub-class: Not Available

Taxonomy of its Food Phytochemical Precursor(s)

Food Phytochemical	Family	Class	Sub-class
(-)-Menthol	Terpenoids	Monoterpenoids	Not Available	Show Food Phytochemical

Spectra from Phytohub

	Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

	Food Phytochemical	Food Source	Food Source Group
	(-)-Menthol	Mint	Herbs and Spices	Publications	Show
	(-)-Menthol	Peppermint	Herbs and Spices	Publications	Show

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

	Food Phytochemical		Metabolite	Species	Biofluids	Origin	TMax	CMax	Urinary Excretion	Formula	Monoisotopic mass
	(-)-Menthol		8-hydroxymenthol-3-glucuronide	rat	urine	Not Available	Not Available	Not Available	Not Available	C₁₆H₂₈O₈	348.178417862		Publications

Inter-Individual Variations in Metabolism

	Food Phytochemical		Metabolite	Effect	Value

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Showing entry for 8-hydroxymenthol-3-glucuronide