PhytoHub: Showing entry for Menthane (3-Hydroxy-p-, 7-carboxylic acid)

Menthane (3-Hydroxy-p-, 7-carboxylic acid)

Identification

PhytoHub ID

PHUB001012

Name

Menthane (3-Hydroxy-p-, 7-carboxylic acid)

Systematic Name

Not Available

Synonyms

2-[3-hydroxy-4-(propan-2-yl)cyclohexyl]acetic acid

CAS Number

Not Available

Average Mass

186.251

Monoisotopic Mass

186.12559444

Chemical Formula

C₁₀H₁₈O₃

IUPAC Name

3-hydroxy-4-(propan-2-yl)cyclohexane-1-carboxylic acid

InChI Key

RIIGXCBSCSKGKB-UHFFFAOYSA-N

InChI Identifier

InChI=1S/C10H18O3/c1-6(2)8-4-3-7(10(12)13)5-9(8)11/h6-9,11H,3-5H2,1-2H3,(H,12,13)

SMILES

CC(C)C1CCC(CC1O)C(O)=O

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 1.24e+01 g/l
LogS (ALOGPS): -1.18
LogP (ALOGPS): 1.18
Hydrogen Acceptors: 3
Hydrogen Donors: 2
Rotatable Bond Count: 2
Polar Surface Area: 57.53
Refractivity: 49.136599999999994
Polarizability: 20.74825246475253
Formal Charge: 0
Physiological Charge: -1
pKa (strongest basic): -2.836856993132443
pKa (strongest acidic): 4.750389977075616
Number of Rings: 1
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
(-)-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		Menthane (3-Hydroxy-p-, 7-carboxylic acid)	rat	urine	Not Available	Not Available	Not Available	Not Available	C₁₀H₁₈O₃	186.12559444		Publications

Inter-Individual Variations in Metabolism

	Food Phytochemical		Metabolite	Effect	Value

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Showing entry for Menthane (3-Hydroxy-p-, 7-carboxylic acid)