Identification

PhytoHub ID
PHUB001793
Name
2-(4-Hydroxymethyl-3-hydroxyphenyl)propan-1-ol
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
210.185
Monoisotopic Mass
210.052823422
Chemical Formula
C10H10O5
IUPAC Name
4-(1-carboxyethyl)-2-hydroxybenzoic acid
InChI Key
GEEHXFLAKPWXJJ-UHFFFAOYNA-N
InChI Identifier
InChI=1/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(C(O)=O)C1=CC(O)=C(C=C1)C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
Not Available
LogS (ALOGPS)
Not Available
LogP (ALOGPS)
Not Available
Hydrogen Acceptors
5
Hydrogen Donors
3
Rotatable Bond Count
3
Polar Surface Area
94.83000000000001
Refractivity
51.1772
Polarizability
19.906925537349895
Formal Charge
0
Physiological Charge
Not Available
pKa (strongest basic)
-6.297057162672694
pKa (strongest acidic)
2.689858297991086
Number of Rings
Not Available
Rule of Five
No
Bioavailability
No
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Metabolite

Family
Terpenoid metabolites
Class
Monoterpenoid metabolites
Sub-class
Not Available

Taxonomy of its Food Phytochemical Precursor(s)

Food PhytochemicalFamilyClassSub-class
CarvacrolTerpenoidsMonoterpenoidsNot AvailableShow Food Phytochemical

Spectra from Online Resources

No spectra information available

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Carvacrol 2-(4-Hydroxymethyl-3-hydroxyphenyl)propan-1-olNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableC10H10O5210.052823422

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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