PhytoHub: Showing entry for Menthane-3,8-diol (p-)

Menthane-3,8-diol (p-)

Identification

PhytoHub ID

PHUB001015

Name

Menthane-3,8-diol (p-)

Systematic Name

Not Available

Synonyms

2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol

CAS Number

Not Available

Average Mass

172.268

Monoisotopic Mass

172.146329884

Chemical Formula

C₁₀H₂₀O₂

IUPAC Name

2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol

InChI Key

CLJGMBYGTHRUNF-PJOPELHJSA-N

InChI Identifier

InChI=1S/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3

SMILES

CC1CCC(C(O)C1)C(C)(C)O

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 1.06e+01 g/l
LogS (ALOGPS): -1.21
LogP (ALOGPS): 1.88
Hydrogen Acceptors: 2
Hydrogen Donors: 2
Rotatable Bond Count: 1
Polar Surface Area: 40.46
Refractivity: 49.182599999999994
Polarizability: 20.476813347847628
Formal Charge: 0
Physiological Charge: 0
pKa (strongest basic): -2.8041647266131493
pKa (strongest acidic): 14.614339722218403
Number of Rings: 1
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: Yes
Veber's Rule: No
MDDR-like Rule: No

External Links

ChEBI: 48250
PubChem: 556998
Chemistry Dashboard: DTXSID0035744
FooDB (Compounds): FDB014996
PeakForestCompound: 000749

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 Online Resources

No spectra information available

Spectra from Phytohub

Spectrum Type	Description	Splash Key	Deposition Date	View

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-3,8-diol (p-)	rat	urine	Not Available	Not Available	Not Available	Not Available	C₁₀H₂₀O₂	172.146329884		Publications

Inter-Individual Variations in Metabolism

	Food Phytochemical		Metabolite	Effect	Value

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Showing entry for Menthane-3,8-diol (p-)