| Record Information |
|---|
| Version |
3.5 |
| Creation Date |
2006-10-31 06:02:28 -0700 |
| Update Date |
2013-05-13 17:04:42 -0600 |
| HMDB ID |
HMDB05175 |
| Secondary Accession Numbers |
None |
| Metabolite Identification |
|---|
| Common Name |
Homovanillin |
| 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  ). |
| Structure |
Download:
MOL |
SDF |
SMILES |
InChI
Display:
2D Structure |
3D Structure
|
| Synonyms |
- (4-Hydroxy-3-methoxyphenyl)acetaldehyde
- 2-(4-Hydroxy-3-methoxyphenyl) Ethanal
- 4-Hydroxy-3-methoxy-Benzeneacetaldehyde
- 4-Hydroxy-3-methoxybenzeneacetaldehyde
- HMPAL
|
| Chemical Formula |
C9H10O3 |
| Average Molecular Weight |
166.1739 |
| Monoisotopic Molecular Weight |
166.062994186 |
| IUPAC Name |
2-(4-hydroxy-3-methoxyphenyl)acetaldehyde |
| Traditional IUPAC Name |
homovanillin |
| CAS Registry Number |
5703-24-2 |
| SMILES |
COC1=C(O)C=CC(CC=O)=C1 |
| 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 |
| InChI Key |
GOQGGGANVKPMNH-UHFFFAOYSA-N |
| Chemical Taxonomy |
|---|
| Kingdom |
Organic Compounds |
| Super Class |
Aromatic Homomonocyclic Compounds |
| Class |
Phenols and Derivatives |
| Sub Class |
Methoxyphenols and Derivatives |
| Other Descriptors |
- Aromatic Homomonocyclic Compounds
- Phenylacetaldehydes
- phenylacetaldehydes(ChEBI)
|
| Substituents |
- Aldehyde
- Alkyl Aryl Ether
- Anisole
|
| Direct Parent |
Methoxyphenols and Derivatives |
| Ontology |
|---|
| Status |
Expected and Not Quantified |
| Origin |
|
| Biofunction |
Not Available |
| Application |
Not Available |
| Cellular locations |
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| Physical Properties |
|---|
| State |
Solid |
| Experimental Properties |
| Property |
Value |
Reference |
| Melting Point |
Not Available |
Not Available |
| Boiling Point |
Not Available |
Not Available |
| Water Solubility |
Not Available |
Not Available |
| LogP |
Not Available |
Not Available |
|
| Predicted Properties |
|
| Spectra |
|---|
|
Not Available
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| Biological Properties |
|---|
| Cellular Locations |
|
| Biofluid Locations |
Not Available
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| Tissue Location |
Not Available
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| Pathways |
|
| Normal Concentrations |
|---|
|
Not Available |
| Abnormal Concentrations |
|---|
|
Not Available |
| Associated Disorders and Diseases |
|---|
| Disease References |
None |
| Associated OMIM IDs |
None |
| External Links |
|---|
| DrugBank ID |
Not Available |
| Phenol Explorer Compound ID |
Not Available |
| Phenol Explorer Metabolite ID |
Not Available |
| FoodDB ID |
FDB023632 |
| KNApSAcK ID |
Not Available |
| Chemspider ID |
133331 |
| KEGG Compound ID |
C05581 |
| BioCyc ID |
Not Available |
| BiGG ID |
46064 |
| Wikipedia Link |
Not Available |
| NuGOwiki Link |
HMDB05175 |
| Metagene Link |
HMDB05175 |
| METLIN ID |
Not Available |
| PubChem Compound |
151276 |
| PDB ID |
Not Available |
| ChEBI ID |
28111 |
| References |
|---|
| Synthesis Reference |
Harries, C. Homovanillin. Berichte der Deutschen Chemischen Gesellschaft (1915), 48 868-9. CODEN: BDCGAS ISSN:0365-9496. CAN 9:13972 AN 1915:13972 |
| Material Safety Data Sheet (MSDS) |
Not Available
|
| General References |
Not Available
|
