| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:28:48 UTC |
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| Update date | 2017-01-19 02:36:14 UTC |
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| FoodComEx ID | PC000143 |
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| FoodDB Record | FDB021876 |
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| Chemical Information |
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| Name | 3-Methoxytyramine |
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| Description | The 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] |
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| CAS Number | 554-52-9 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 3-Methoxy-4-hydroxyphenylethyl amine | hmdb | | 3-Methoxytyramine | hmdb | | 3-O-methyldopamine | hmdb | | 4-(2-amino-ethyl)-2-methoxy-phenol | hmdb | | 4-(2-aminoethyl)-2-methoxy-Phenol | hmdb | | 4-(2-Aminoethyl)-2-methoxyphenol | hmdb | | 5-(2-aminoethyl)guaiacol | hmdb |
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| Chemical Formula | C9H13NO2 |
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| IUPAC name | 4-(2-aminoethyl)-2-methoxyphenol |
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| InChI Identifier | InChI=1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3 |
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| InChI Key | DIVQKHQLANKJQO-UHFFFAOYSA-N |
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| Isomeric SMILES | COC1=C(O)C=CC(CCN)=C1 |
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| Average Molecular Weight | 167.205 |
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| Monoisotopic Molecular Weight | 167.094628665 |
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| Chemical Taxonomy |
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| 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. |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Phenols |
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| Sub Class | Methoxyphenols |
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| Direct Parent | Methoxyphenols |
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| Alternative Parents | |
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| Substituents | - Methoxyphenol
- Phenethylamine
- Anisole
- Phenoxy compound
- Phenol ether
- Methoxybenzene
- 2-arylethylamine
- Aralkylamine
- Alkyl aryl ether
- 1-hydroxy-2-unsubstituted benzenoid
- Monocyclic benzene moiety
- Ether
- Primary amine
- Amine
- Organooxygen compound
- Organonitrogen compound
- Primary aliphatic amine
- Organic nitrogen compound
- Hydrocarbon derivative
- Organopnictogen compound
- Organic oxygen compound
- Aromatic homomonocyclic compound
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| Molecular Framework | Aromatic homomonocyclic compounds |
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| External Descriptors | |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | Not Available | |
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| Foods of Origin |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | Production upon request, up to 2 g |
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| Delivery Time | Not Available |
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| Storage Form | solid |
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| Storage Conditions | -80°C |
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| Stability | Not Available |
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| Purity | Not Available |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Commercial Vendors |
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| Human Metabolome Library | HMDB0000022 |
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| MetaSci | HMDB0000022 |
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