PhytoHub: Showing entry for Carveol glucuronide

Carveol glucuronide

Identification

PhytoHub ID

PHUB000971

Name

Carveol glucuronide

Systematic Name

Not Available

Synonyms

p-mentha-1,8--dien-6-ol glucuronide

CAS Number

Not Available

Average Mass

328.361

Monoisotopic Mass

328.152203113

Chemical Formula

C₁₆H₂₄O₇

IUPAC Name

3,4,5-trihydroxy-6-{[2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-ylidene]oxy}oxane-2-carboxylic acid

InChI Key

KRCZYMFUWVJCLI-UHFFFAOYSA-N

InChI Identifier

InChI=1S/C16H24O7/c1-7(2)9-5-4-8(3)10(6-9)22-16-13(19)11(17)12(18)14(23-16)15(20)21/h4,9-14,16-19H,1,5-6H2,2-3H3,(H,20,21)

SMILES

CC(=C)C1CC=C(C)C(C1)OC1OC(C(O)C(O)C1O)C(O)=O

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 1.70e+01 g/l
LogS (ALOGPS): -1.29
LogP (ALOGPS): 0.31
Hydrogen Acceptors: 7
Hydrogen Donors: 4
Rotatable Bond Count: 4
Polar Surface Area: 116.45
Refractivity: 80.2765
Polarizability: 33.92823239440962
Formal Charge: 0
Physiological Charge: -1
pKa (strongest basic): -3.6865073536827206
pKa (strongest acidic): 3.5943515171523694
Number of Rings: 2
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: Yes
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
Carvone	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
Carvone	Caraway	Herbs and Spices	Publications	Show
Carvone	Dill	Herbs and Spices	Publications	Show
Carvone	Mandarin orange (Clementine, Tangerine)	Fruit, Citrus	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
	Carvone		Carveol glucuronide	human	urine	Not Available	Not Available	Not Available	Not Available	C₁₆H₂₄O₇	328.152203113		Publications

Inter-Individual Variations in Metabolism

	Food Phytochemical		Metabolite	Effect	Value

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Showing entry for Carveol glucuronide