Identification

PhytoHub ID
PHUB001321
Name
3'-Hydroxytyrosol
Systematic Name
2-(3',4'-dihydroxyphenyl)ethanol
Synonyms
  • 2-(3,4-Dihydroxyphenyl)ethanol
  • 2-(3,4-hydroxyphenyl)ethanol
  • 3-Hydroxytyrosol
  • 3,4-dihydroxyphenethyl alcohol
  • 3,4-Dihydroxyphenylethanol
  • 4-(2-Hydroxyethyl)-1,2-benzenediol
  • 4-hydroxyphenethyl alcohol
  • DOPET
  • homoprotocatechuyl alcohol
CAS Number
10597-60-1
Average Mass
154.165
Monoisotopic Mass
154.062994182
Chemical Formula
C8H10O3
IUPAC Name
4-(2-hydroxyethyl)benzene-1,2-diol
InChI Key
JUUBCHWRXWPFFH-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C8H10O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,9-11H,3-4H2
SMILES
OCCC1=CC=C(O)C(O)=C1
Structure

Calculated Properties

Solubility (ALOGPS)
1.74e+01 g/l
LogS (ALOGPS)
-0.95
LogP (ALOGPS)
0.13
Hydrogen Acceptors
3
Hydrogen Donors
3
Rotatable Bond Count
2
Polar Surface Area
60.69
Refractivity
41.5907
Polarizability
15.770162621032398
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.4099441681107265
pKa (strongest acidic)
9.44823645704384
Number of Rings
1
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
Polyphenols
Class
Phenolic acids
Sub-class
Miscellaneous phenolic acids

Taxonomy as Metabolite

Metabolite Family
(Poly)phenol metabolites
Metabolite Class
Phenolic acid metabolites
Metabolite Sub-class
Miscellaneous phenolic acid metabolites

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Phenols
Super-class
Benzenoids
Sub-class
Tyrosols and derivatives
Direct Parent Name
Tyrosols
Alternative Parent Names
["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "Benzene and substituted derivatives", "Catechols", "Hydrocarbon derivatives", "Primary alcohols"]
External Descriptor Annotations
["catechols", "primary alcohol"]
Substituent Names
["1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "Alcohol", "Aromatic homomonocyclic compound", "Catechol", "Hydrocarbon derivative", "Monocyclic benzene moiety", "Organic oxygen compound", "Organooxygen compound", "Primary alcohol", "Tyrosol"]

Spectra from Online Resources

No spectra information available

Food Sources

NameGroup
Olive oilFats and oils PublicationsShow
Olive, greenFruit, DrupesShow

Food Sources of its Food Phytochemical(s)

No food source information available of its precursor(s)

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
3'-Hydroxytyrosol Hydroxytyrosol 3'-sulfatehumanplasma, urinehost metabolismNot AvailableNot AvailableNot AvailableC8H10O6S234.019809216 Detailed Intervention Studies Publications
3'-Hydroxytyrosol Hydroxytyrosol 3'-glucuronidehumanurinehost metabolismNot AvailableNot AvailableNot AvailableC14H18O9330.09508216 Detailed Intervention Studies Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
Back