Record Information
Version1.0
Creation date2011-09-21 00:04:22 UTC
Update date2015-10-09 22:28:48 UTC
Primary IDFDB021876
Secondary Accession NumbersNot Available
Chemical Information
FooDB Name3-Methoxytyramine
DescriptionThe O-methylated derivative of dopamine. Dopamine is methylated by catechol-O-methyltransferase (COMT) to make 3-Methoxytyramine. This compound can be broken down to homovanillic acid by monoamine oxidase and aldehyde dehydrogenase. Elevated concentrations of this compound are indicated for a variety of brain and carcinoid tumors as well as certain mental disorders. [HMDB]
CAS Number554-52-9
Structure
Thumb
Synonyms
SynonymSource
3-Methoxy-4-hydroxyphenylethyl aminehmdb
3-Methoxytyraminehmdb
3-O-methyldopaminehmdb
4-(2-amino-ethyl)-2-methoxy-phenolhmdb
4-(2-aminoethyl)-2-methoxy-Phenolhmdb
4-(2-Aminoethyl)-2-methoxyphenolhmdb
5-(2-aminoethyl)guaiacolhmdb
Predicted PropertiesNot Available
Chemical FormulaC9H13NO2
IUPAC name
InChI IdentifierInChI=1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3
InChI KeyDIVQKHQLANKJQO-UHFFFAOYSA-N
Isomeric SMILESCOC1=C(O)C=CC(CCN)=C1
Average Molecular Weight167.205
Monoisotopic Molecular Weight167.094628665
Classification
ClassificationNot classified
Ontology
Disposition

Source:

Biological location:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateSolid
Physical DescriptionNot Available
Mass CompositionNot Available
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MSNot Available
NMRNot Available
ChemSpider ID1606
ChEMBL IDCHEMBL1160785
KEGG Compound IDC05587
Pubchem Compound ID1669
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB00022
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG ID46076
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
Pathways
NameSMPDB LinkKEGG Link
Tyrosine MetabolismSMP00006 map00350
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSshow
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference