PhytoHub: Showing entry for 8,9-dihydroxy-p-menthan-7-oic acid glucuronide III

8,9-dihydroxy-p-menthan-7-oic acid glucuronide III

Identification

PhytoHub ID

PHUB002626

Name

8,9-dihydroxy-p-menthan-7-oic acid glucuronide III

Systematic Name

8,9-dihydroxy-p-menthan-7-oic acid glucuronide

Synonyms

8,9-dihydroxy-p-menthanoic-7-glucuronide

CAS Number

Not Available

Average Mass

378.374

Monoisotopic Mass

378.152597037

Chemical Formula

C₁₆H₂₆O₁₀

IUPAC Name

5-[4-(1,2-dihydroxypropan-2-yl)cyclohexanecarbonyloxy]-3,4,6-trihydroxyoxane-2-carboxylic acid

InChI Key

SPBGAERACWXZRX-UHFFFAOYNA-N

InChI Identifier

InChI=1/C16H26O10/c1-16(24,6-17)8-4-2-7(3-5-8)14(22)26-12-10(19)9(18)11(13(20)21)25-15(12)23/h7-12,15,17-19,23-24H,2-6H2,1H3,(H,20,21)

SMILES

CC(O)(CO)C1CCC(CC1)C(=O)OC1C(O)OC(C(O)C1O)C(O)=O

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 2.13e+01 g/l
LogS (ALOGPS): -1.25
LogP (ALOGPS): -1.12
Hydrogen Acceptors: 9
Hydrogen Donors: 6
Rotatable Bond Count: 6
Polar Surface Area: 173.98
Refractivity: 83.14549999999998
Polarizability: 37.24721438604897
Formal Charge: 0
Physiological Charge: -1
pKa (strongest basic): -3.0715280078956315
pKa (strongest acidic): 3.2465147767693527
Number of Rings: 2
Rule of Five: No
Bioavailability: Yes
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 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		8,9-dihydroxy-p-menthan-7-oic acid glucuronide III	mouse rat	Not Available	unknown	Not Available	Not Available	Not Available	C₁₆H₂₆O₁₀	378.152597037		Publications

Inter-Individual Variations Metabolism

Precursor	Metabolite	Effect	Value
Limonene	8,9-dihydroxy-p-menthan-7-oic acid glucuronide III	BMI	Not studied
Limonene	8,9-dihydroxy-p-menthan-7-oic acid glucuronide III	Smoking	Not studied
Limonene	8,9-dihydroxy-p-menthan-7-oic acid glucuronide III	Ethnicity	Not studied
Limonene	8,9-dihydroxy-p-menthan-7-oic acid glucuronide III	Genotype	Not studied
Limonene	8,9-dihydroxy-p-menthan-7-oic acid glucuronide III	Microbiota	Not studied
Limonene	8,9-dihydroxy-p-menthan-7-oic acid glucuronide III	Sex	Not studied
Limonene	8,9-dihydroxy-p-menthan-7-oic acid glucuronide III	Age	Not studied
Limonene	8,9-dihydroxy-p-menthan-7-oic acid glucuronide III	Health-Status	Not studied

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Showing entry for 8,9-dihydroxy-p-menthan-7-oic acid glucuronide III