PhytoHub: Showing entry for Menthane-3,7-diol (p-)

Menthane-3,7-diol (p-)

Identification

PhytoHub ID

PHUB001011

Name

Menthane-3,7-diol (p-)

Systematic Name

Not Available

Synonyms

5-(hydroxymethyl)-2-(propan-2-yl)cyclohexan-1-ol

CAS Number

Not Available

Average Mass

172.268

Monoisotopic Mass

172.146329884

Chemical Formula

C₁₀H₂₀O₂

IUPAC Name

5-(hydroxymethyl)-2-(propan-2-yl)cyclohexan-1-ol

InChI Key

PSJWHBLMRRRGQW-UHFFFAOYSA-N

InChI Identifier

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

SMILES

CC(C)C1CCC(CO)CC1O

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 1.09e+01 g/l
LogS (ALOGPS): -1.20
LogP (ALOGPS): 1.59
Hydrogen Acceptors: 2
Hydrogen Donors: 2
Rotatable Bond Count: 2
Polar Surface Area: 40.46
Refractivity: 49.29699999999999
Polarizability: 20.6728833217317
Formal Charge: 0
Physiological Charge: 0
pKa (strongest basic): -2.594477966825032
pKa (strongest acidic): 14.819515381616743
Number of Rings: 1
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: Yes
Veber's Rule: No
MDDR-like Rule: No

External Links

PubChem: 45096545
PeakForestCompound: 000748

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-3,7-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-3,7-diol (p-)