Record Information |
---|
Version | 1.0 |
---|
Creation date | 2011-09-21 01:45:30 UTC |
---|
Update date | 2015-07-21 06:59:32 UTC |
---|
Primary ID | FDB028818 |
---|
Secondary Accession Numbers | Not Available |
---|
Chemical Information |
---|
FooDB Name | 4-Methoxytyramine |
---|
Description | 4-Methoxytyramine is a catecholamine derivative. Catecholamines are important components of the central nervous system. A number of diseases are characterized by abnormal levels of catecholamines. For example, patients with Parkinson's disease have lower levels of dopamine than normal. L-3,4-Dihydroxyphennylalanune (L-Dopa), a catechol a-amino acid, is widely used in the treatment of Parkinson's disease. When L-Dopa is given orally to patients, the most prominent metabolite is 3-methoxy-4-hydroxyphenylalanine. However, a part of L-Dopa is methylated to 3-hydroxy-4-methylphenylalanine and to 3-hydroxy-4-methoxyphenethylamine. It has been reported that 4-O-methylation of catecholamines is implicated in some neuropsychiatric disorders and thus 3-hydroxy-4-methoxyphenethylamine appears to be the endogenous "toxin" in Parkinson's disease. Consequently, the determination of plasma levels of 3-hydroxy-4-methoxyphenethylamine is important following oral L-Dopa therapy (PMID: 6518609). [HMDB] |
---|
CAS Number | 3213-30-7 |
---|
Structure | |
---|
Synonyms | |
---|
Predicted Properties | |
---|
Chemical Formula | C9H13NO2 |
---|
IUPAC name | 5-(2-aminoethyl)-2-methoxyphenol |
---|
InChI Identifier | InChI=1S/C9H13NO2/c1-12-9-3-2-7(4-5-10)6-8(9)11/h2-3,6,11H,4-5,10H2,1H3 |
---|
InChI Key | WJXQFVMTIGJBFX-UHFFFAOYSA-N |
---|
Isomeric SMILES | COC1=C(O)C=C(CCN)C=C1 |
---|
Average Molecular Weight | 167.205 |
---|
Monoisotopic Molecular Weight | 167.094628665 |
---|
Classification |
---|
Description | Belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. |
---|
Kingdom | Organic compounds |
---|
Super Class | Benzenoids |
---|
Class | Phenols |
---|
Sub Class | Methoxyphenols |
---|
Direct Parent | Methoxyphenols |
---|
Alternative Parents | |
---|
Substituents | - Methoxyphenol
- Phenethylamine
- Anisole
- Phenoxy compound
- Phenol ether
- Methoxybenzene
- 2-arylethylamine
- Aralkylamine
- Alkyl aryl ether
- 1-hydroxy-2-unsubstituted benzenoid
- 1-hydroxy-4-unsubstituted benzenoid
- Monocyclic benzene moiety
- Ether
- Hydrocarbon derivative
- Primary amine
- Amine
- Organooxygen compound
- Organonitrogen compound
- Primary aliphatic amine
- Organic nitrogen compound
- Organopnictogen compound
- Organic oxygen compound
- Aromatic homomonocyclic compound
|
---|
Molecular Framework | Aromatic homomonocyclic compounds |
---|
External Descriptors | Not Available |
---|
Ontology |
---|
|
Disposition | Biological location: Source: |
---|
Physico-Chemical Properties |
---|
Physico-Chemical Properties - Experimental | |
---|
Spectra |
---|
Spectra | |
---|
EI-MS/GC-MS | Type | Description | Splash Key | View |
---|
Predicted GC-MS | 4-Methoxytyramine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-001i-6900000000-04f173662830730ff7b7 | Spectrum | Predicted GC-MS | 4-Methoxytyramine, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-00di-9830000000-566fa08a0eace6a43306 | Spectrum | Predicted GC-MS | 4-Methoxytyramine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
|
---|
MS/MS | Type | Description | Splash Key | View |
---|
Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0gb9-0900000000-cb0f2ccb662476519dde | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0uxr-0900000000-249e196fc14d685f1468 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0uy0-9600000000-7665f4c41242de21beee | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-014i-0900000000-6a246c6614040c50b45f | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-014i-0900000000-960e238c3ffc12d3e76f | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-006x-6900000000-1863ab44a6327bc1600e | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-014i-0900000000-104aad9eca02be4778f8 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-014i-0900000000-bf79255353759d5bb555 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-03di-4900000000-4bc14a5573948760fa6c | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0uk9-0900000000-ffaf9ba27484aab63eba | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0udi-0900000000-d5dbb5d2c0ce720e3d23 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-016r-9400000000-09c2c0d9b7b25467cf15 | 2021-09-23 | View Spectrum |
|
---|
NMR | Not Available |
---|
External Links |
---|
ChemSpider ID | 1685 |
---|
ChEMBL ID | CHEMBL1492473 |
---|
KEGG Compound ID | Not Available |
---|
Pubchem Compound ID | 1748 |
---|
Pubchem Substance ID | Not Available |
---|
ChEBI ID | Not Available |
---|
Phenol-Explorer ID | Not Available |
---|
DrugBank ID | Not Available |
---|
HMDB ID | HMDB12162 |
---|
CRC / DFC (Dictionary of Food Compounds) ID | Not Available |
---|
EAFUS ID | Not Available |
---|
Dr. Duke ID | Not Available |
---|
BIGG ID | Not Available |
---|
KNApSAcK ID | Not Available |
---|
HET ID | Not Available |
---|
Food Biomarker Ontology | Not Available |
---|
VMH ID | Not Available |
---|
Flavornet ID | Not Available |
---|
GoodScent ID | Not Available |
---|
SuperScent ID | Not Available |
---|
Wikipedia ID | Not Available |
---|
Phenol-Explorer Metabolite ID | Not Available |
---|
Duplicate IDS | Not Available |
---|
Old DFC IDS | Not Available |
---|
Associated Foods |
---|
|
Biological Effects and Interactions |
---|
Health Effects / Bioactivities | Not Available |
---|
Enzymes | Not Available |
---|
Pathways | Not Available |
---|
Metabolism | Not Available |
---|
Biosynthesis | Not Available |
---|
Organoleptic Properties |
---|
Flavours | Not Available |
---|
Files |
---|
MSDS | Not Available |
---|
References |
---|
Synthesis Reference | Not Available |
---|
General Reference | Not Available |
---|
Content Reference | |
---|