Record Information |
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Version | 1.0 |
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Creation date | 2011-09-21 00:32:41 UTC |
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Update date | 2015-07-21 06:57:48 UTC |
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Primary ID | FDB023632 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Homovanillin |
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Description | 3 -Methoxy-4-hydroxyphenylacetaldehyde is an intermediary aldehyde of dopamine metabolism, metabolized by the class I human liver alcohol dehydrogenases (ADHs) . ADH catalyzes both ethanol and acetaldehyde, and the dopamine intermediates compete for the same site of ADH, a basis for the ethanol-induced in vivo alterations of dopamine metabolism. (PMID 2432930) [HMDB] |
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CAS Number | 5703-24-2 |
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Structure | |
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Synonyms | Synonym | Source |
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3-Methoxy-4-hydroxyphenylacetaldehyde | ChEBI | 4-Hydroxy-3-methoxybenzeneacetaldehyde | ChEBI | HMPAL | ChEBI | (4-Hydroxy-3-methoxyphenyl)acetaldehyde | Kegg | 2-(4-Hydroxy-3-methoxyphenyl) ethanal | HMDB | 4-Hydroxy-3-methoxy-benzeneacetaldehyde | HMDB | 2-(4-hydroxy-3-methoxyphenyl) Ethanal | hmdb | 4-hydroxy-3-methoxy-Benzeneacetaldehyde | hmdb | 4-hydroxy-3-methoxybenzeneacetaldehyde | hmdb |
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Predicted Properties | |
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Chemical Formula | C9H10O3 |
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IUPAC name | 2-(4-hydroxy-3-methoxyphenyl)acetaldehyde |
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InChI Identifier | InChI=1S/C9H10O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,5-6,11H,4H2,1H3 |
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InChI Key | GOQGGGANVKPMNH-UHFFFAOYSA-N |
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Isomeric SMILES | COC1=C(O)C=CC(CC=O)=C1 |
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Average Molecular Weight | 166.1739 |
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Monoisotopic Molecular Weight | 166.062994186 |
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Classification |
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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
- Phenylacetaldehyde
- Phenoxy compound
- Anisole
- Methoxybenzene
- Phenol ether
- 1-hydroxy-2-unsubstituted benzenoid
- Alkyl aryl ether
- Monocyclic benzene moiety
- Alpha-hydrogen aldehyde
- Ether
- Aldehyde
- Carbonyl group
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxide
- 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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Physico-Chemical Properties - Experimental | Property | Value | Reference |
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Physical state | Solid | |
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Physical Description | Not Available | |
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Mass Composition | Not Available | |
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Melting Point | Not Available | |
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Boiling Point | Not Available | |
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Experimental Water Solubility | Not Available | |
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Experimental logP | Not Available | |
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Experimental pKa | Not Available | |
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Isoelectric point | Not Available | |
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Charge | Not Available | |
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Optical Rotation | Not Available | |
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Spectroscopic UV Data | Not Available | |
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Density | Not Available | |
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Refractive Index | Not Available | |
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Spectra |
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Spectra | |
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External Links |
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ChemSpider ID | 133331 |
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ChEMBL ID | Not Available |
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KEGG Compound ID | C05581 |
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Pubchem Compound ID | 151276 |
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Pubchem Substance ID | Not Available |
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ChEBI ID | 28111 |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | Not Available |
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HMDB ID | HMDB05175 |
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CRC / DFC (Dictionary of Food Compounds) ID | Not Available |
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EAFUS ID | Not Available |
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Dr. Duke ID | Not Available |
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BIGG ID | 46064 |
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KNApSAcK ID | Not Available |
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HET ID | Not Available |
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Flavornet ID | Not Available |
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GoodScent ID | rw1055621 |
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SuperScent ID | Not Available |
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Wikipedia ID | Not Available |
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Phenol-Explorer Metabolite ID | Not Available |
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Duplicate IDS | Not Available |
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Old DFC IDS | Not Available |
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Associated Foods |
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Food | Content Range | Average | Reference |
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Food | | | Reference |
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Biological Effects and Interactions |
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Health Effects / Bioactivities | Not Available |
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Enzymes | Not Available |
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Pathways | |
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Metabolism | Not Available |
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Biosynthesis | Not Available |
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Organoleptic Properties |
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Flavours | Flavor | Citations |
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floral |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| vanilla |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
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Files |
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MSDS | Not Available |
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References |
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Synthesis Reference | Not Available |
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General Reference | Not Available |
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Content Reference | |
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