PhytoHub: Showing entry for 2-(4-Hydroxymethyl-3-hydroxyphenyl)propan-1-ol

2-(4-Hydroxymethyl-3-hydroxyphenyl)propan-1-ol

Identification

PhytoHub ID

PHUB001793

Name

2-(4-Hydroxymethyl-3-hydroxyphenyl)propan-1-ol

Systematic Name

p-menthan-1,3,5-trien-2,7,10-triol

Synonyms

Not Available

CAS Number

Not Available

Average Mass

182.219

Monoisotopic Mass

182.094294311

Chemical Formula

C₁₀H₁₄O₃

IUPAC Name

2-(hydroxymethyl)-5-(1-hydroxypropan-2-yl)phenol

InChI Key

GEEHXFLAKPWXJJ-UHFFFAOYSA-N

InChI Identifier

InChI=1S/C10H10O5/c1-5(9(12)13)6-2-3-7(10(14)15)8(11)4-6/h2-5,11H,1H3,(H,12,13)(H,14,15)

SMILES

CC(CO)C1=CC(O)=C(CO)C=C1

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): Not Available
LogS (ALOGPS): Not Available
LogP (ALOGPS): Not Available
Hydrogen Acceptors: 3
Hydrogen Donors: 3
Rotatable Bond Count: 3
Polar Surface Area: 60.69
Refractivity: 50.8973
Polarizability: 19.712013828862254
Formal Charge: 0
Physiological Charge: 0
pKa (strongest basic): -2.6396150388200397
pKa (strongest acidic): 9.93993670648821
Number of Rings: 1
Rule of Five: Yes
Bioavailability: No
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 Food Phytochemical Precursor(s)

Food Phytochemical	Family	Class	Sub-class
Carvacrol	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
Carvacrol	Common oregano	Herbs and Spices	Publications	Show
Carvacrol	Common thyme	Herbs and Spices	Publications	Show
Carvacrol	Hop marjoram	Herbs and Spices	Publications	Show
Carvacrol	Nigella (Nigella sativa)	Herbs and Spices	Publications	Show
Carvacrol	Summer savory	Herbs and Spices	Publications	Show
Carvacrol	Sweet marjoram	Herbs and Spices	Publications	Show
Carvacrol	Thyme (Thymus capitatus )	Herbs and Spices	Publications	Show
Carvacrol	Winter savory	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
	Carvacrol		2-(4-Hydroxymethyl-3-hydroxyphenyl)propan-1-ol	Not Available	Not Available	Not Available	Not Available	Not Available	Not Available	C₁₀H₁₄O₃	182.094294311

Inter-Individual Variations in Metabolism

	Food Phytochemical		Metabolite	Effect	Value

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Showing entry for 2-(4-Hydroxymethyl-3-hydroxyphenyl)propan-1-ol