PhytoHub: Showing entry for hydroxy-p-menthan-7-oic acid glucuronide

hydroxy-p-menthan-7-oic acid glucuronide

Identification

PhytoHub ID

PHUB002613

Name

hydroxy-p-menthan-7-oic acid glucuronide

Systematic Name

2-hydroxy-p-menthan-7-oic acid glucuronide

Synonyms

p-menthan-7-oic acid-2-glucuronide

CAS Number

Not Available

Average Mass

362.375

Monoisotopic Mass

362.157682417

Chemical Formula

C₁₆H₂₆O₉

IUPAC Name

5-{[2-carboxy-5-(propan-2-yl)cyclohexyl]oxy}-3,4,6-trihydroxyoxane-2-carboxylic acid

InChI Key

YMMUAFLTYVRZOI-UHFFFAOYNA-N

InChI Identifier

InChI=1/C16H26O9/c1-6(2)7-3-4-8(14(19)20)9(5-7)24-13-11(18)10(17)12(15(21)22)25-16(13)23/h6-13,16-18,23H,3-5H2,1-2H3,(H,19,20)(H,21,22)

SMILES

CC(C)C1CCC(C(C1)OC1C(O)OC(C(O)C1O)C(O)=O)C(O)=O

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 1.90e+01 g/l
LogS (ALOGPS): -1.28
LogP (ALOGPS): 0.06
Hydrogen Acceptors: 9
Hydrogen Donors: 5
Rotatable Bond Count: 5
Polar Surface Area: 153.75
Refractivity: 81.3403
Polarizability: 36.31977025254466
Formal Charge: 0
Physiological Charge: -2
pKa (strongest basic): -3.690899023358481
pKa (strongest acidic): 3.170169223886827
Number of Rings: 2
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: No
Veber's Rule: No
MDDR-like Rule: No

External Links

No external links

Taxonomy as Precursor

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

Taxonomy as Metabolite

Metabolite Family: Not Available
Metabolite Class: Not Available
Metabolite Sub-class: Not Available

Taxonomy of its Precursor(s)

Precursor	Family	Class	Sub-class
Limonene	Terpenoids	Monoterpenoids	Not Available	Show Precursor

Spectra from Online Resources

No spectra information available

Food Sources

No food source information available

Food Sources of its Precursor(s)

Precursor	Food Source	Food Source Group
Limonene	Apple	Fruit, Pomes	Publications	Show
Limonene	Dill	Herbs and Spices		Show
Limonene	Ginseng	Herbs and Spices	Publications	Show
Limonene	Grape	Fruit, Berries	Publications	Show
Limonene	Grape wine	Beverages, Alcoholic	Publications	Show
Limonene	Lemon	Fruit, Citrus	Publications	Show
Limonene	Mandarin orange (Clementine, Tangerine)	Fruit, Citrus	Publications	Show
Limonene	Mint	Herbs and Spices	Publications	Show
Limonene	Nutmeg	Herbs and Spices		Show
Limonene	Orange juice	Beverages, Non-alcoholic	Publications	Show
Limonene	Pepper	Herbs and Spices		Show
Limonene	Peppermint	Herbs and Spices	Publications	Show
Limonene	Star anise	Herbs and Spices	Publications	Show
Limonene	Sweet orange	Fruit, Citrus	Publications	Show

Metabolism

	Precursor		Metabolite	Species	Biofluids	Origin	TMax	CMax	Urinary Excretion	Formula	Monoisotopic mass
	Limonene		hydroxy-p-menthan-7-oic acid glucuronide	rat	Not Available	unknown	Not Available	Not Available	Not Available	C₁₆H₂₆O₉	362.157682417		Publications

Inter-Individual Variations Metabolism

Precursor	Metabolite	Effect	Value
Limonene	hydroxy-p-menthan-7-oic acid glucuronide	BMI	Not studied
Limonene	hydroxy-p-menthan-7-oic acid glucuronide	Smoking	Not studied
Limonene	hydroxy-p-menthan-7-oic acid glucuronide	Ethnicity	Not studied
Limonene	hydroxy-p-menthan-7-oic acid glucuronide	Genotype	Not studied
Limonene	hydroxy-p-menthan-7-oic acid glucuronide	Microbiota	Not studied
Limonene	hydroxy-p-menthan-7-oic acid glucuronide	Sex	Not studied
Limonene	hydroxy-p-menthan-7-oic acid glucuronide	Age	Not studied
Limonene	hydroxy-p-menthan-7-oic acid glucuronide	Health-Status	Not studied

Back

Showing entry for hydroxy-p-menthan-7-oic acid glucuronide