Showing metabocard for Tyrosol (BMDB0004284)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-09-30 23:09:02 UTC
Update Date2020-05-11 20:49:32 UTC
BMDB IDBMDB0004284
Secondary Accession Numbers
  • BMDB04284
Metabolite Identification
Common NameTyrosol
DescriptionTyrosol belongs to the class of organic compounds known as tyrosols. These are organic aromatic compounds containing a phenethyl alcohol moiety that carries a hydroxyl group at the 4-position of the benzene group. Tyrosol exists in all living species, ranging from bacteria to plants to humans. Based on a literature review a significant number of articles have been published on Tyrosol.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
4-HydroxybenzeneethanolChEBI
4-HydroxyphenylethanolChEBI
p-Hydroxyphenethyl alcoholChEBI
2-(4-Hydroxyphenyl)ethanolHMDB
2-(p-Hydroxyphenyl)ethanolHMDB
4-(2-Hydroxyethyl)phenolHMDB
4-Hydroxyphenethyl alcoholHMDB
4-Hydroxyphenylethyl alcoholHMDB
b-(4-Hydroxyphenyl)ethanolHMDB
b-(P-Hydroxyphenyl)ethanolHMDB
beta-(4-Hydroxyphenyl)ethanolHMDB, MeSH
beta-(p-Hydroxyphenyl)ethanolHMDB
P-Hydroxyphenylethyl alcoholHMDB
P-ThyrosolHMDB
p-TyrosolHMDB, MeSH
Para-hydroxyphenylethanolMeSH, HMDB
P-HydroxyphenylethanolMeSH, HMDB
N-TyrosolMeSH, HMDB
2-(4-Hydroxyphenyl)ethyl alcoholHMDB
TyrosolHMDB
p-(2-Hydroxyethyl)phenolHMDB
p-HPEAHMDB
β-(4-Hydroxyphenyl)ethanolHMDB
β-(p-Hydroxyphenyl)ethanolHMDB
2-(3',4'-dihydroxyphenyl)ethanolHMDB
2-(4'-Hydroxyphenyl)ethanolHMDB
4-Hydroxyphenyl alcoholHMDB
Chemical FormulaC8H10O2
Average Molecular Weight138.1638
Monoisotopic Molecular Weight138.068079564
IUPAC Name4-(2-hydroxyethyl)phenol
Traditional Nametyrosol
CAS Registry Number501-94-0
SMILES
OCCC1=CC=C(O)C=C1
InChI Identifier
InChI=1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H2
InChI KeyYCCILVSKPBXVIP-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as tyrosols. These are organic aromatic compounds containing a phenethyl alcohol moiety that carries a hydroxyl group at the 4-position of the benzene group.
KingdomOrganic compounds
Super ClassBenzenoids
ClassPhenols
Sub ClassTyrosols and derivatives
Direct ParentTyrosols
Alternative Parents
Substituents
  • Tyrosol
  • 1-hydroxy-2-unsubstituted benzenoid
  • Monocyclic benzene moiety
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Primary alcohol
  • Organooxygen compound
  • Alcohol
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Ontology
StatusExpected but not Quantified
Origin
  • Endogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locationsNot Available
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting Point90 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP0.85ALOGPS
logP1.19ChemAxon
logS-0.74ALOGPS
pKa (Strongest Acidic)10.2ChemAxon
pKa (Strongest Basic)-2.4ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area40.46 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity39.61 m³·mol⁻¹ChemAxon
Polarizability14.85 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Prostate Tissue
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
Prostate TissueExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
 details
Abnormal Concentrations
Not Available
HMDB IDHMDB0004284
DrugBank IDNot Available
Phenol Explorer Compound ID673
FooDB IDFDB012695
KNApSAcK IDC00029515
Chemspider ID9964
KEGG Compound IDC06044
BioCyc IDCPD3O-4151
BiGG IDNot Available
Wikipedia LinkTyrosol
METLIN ID7044
PubChem Compound10393
PDB IDNot Available
ChEBI ID1879
References
Synthesis ReferenceZheng, Hong; Gao, Wenfang; Ji, Xueshi; Zhang, Shoufang. Improved method for synthesis of Tyrosol. Zhongguo Yaowu Huaxue Zazhi (2002), 12(3), 166-167.
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available