EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:296881 - 3,4-dimethoxybenzoic acid
| Formula | C9H10O4 |
| Net Charge | 0 |
| Average Mass | 182.175 |
| Monoisotopic Mass | 182.05791 |
| SMILES | COc1ccc(C(=O)O)cc1OC |
| InChI | InChI=1S/C9H10O4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3,(H,10,11) |
| InChIKey | DAUAQNGYDSHRET-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | allergen A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3,4-dimethoxybenzoic acid (CHEBI:296881) has parent hydride benzoic acid (CHEBI:30746) |
| 3,4-dimethoxybenzoic acid (CHEBI:296881) has role allergen (CHEBI:50904) |
| 3,4-dimethoxybenzoic acid (CHEBI:296881) has role plant metabolite (CHEBI:76924) |
| 3,4-dimethoxybenzoic acid (CHEBI:296881) is a benzoic acids (CHEBI:22723) |
| Incoming Relation(s) |
| 3β-[(O-β-D-glucopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl)oxy]-17α-hydroxy-16β-[(O-(2-O-3,4-dimethoxybenzoyl-β-D-xylopyranosyl)-(1→3)-2-O-acetyl-α-L-arabinopyranosyl)oxy]cholest-5-en-22-one (CHEBI:65625) has functional parent 3,4-dimethoxybenzoic acid (CHEBI:296881) |
| 3β-[(O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl)oxy]-17α-hydroxy-16β-[(O-(2-O-3,4-dimethoxybenzoyl-β-D-xylopyranosyl)-(1→3)-2-O-acetyl-α-L-arabinopyranosyl)oxy]cholest-5-en-22-one (CHEBI:65623) has functional parent 3,4-dimethoxybenzoic acid (CHEBI:296881) |
| 3β-[(β-D-glucopyranosyl)oxy]-17α-hydroxy-16β-[(O-(2-O-3,4-dimethoxybenzoyl-β-D-xylopyranosyl)-(1→3)-2-O-acetyl-α-L-arabinopyranosyl)oxy]cholest-5-en-22-one (CHEBI:65621) has functional parent 3,4-dimethoxybenzoic acid (CHEBI:296881) |
| IUPAC Name |
|---|
| 3,4-dimethoxybenzoic acid |
| Synonyms | Source |
|---|---|
| 3,4-Dimethoxybenzoic acid | ChemIDplus |
| 3,4-Dimethylprotocatechuic acid | ChemIDplus |
| Dimethylprotocatechuic acid | ChemIDplus |
| Veratric acid | ChemIDplus |
| Veratrumenoic acid | NIST Chemistry WebBook |
| Veratrylic acid | NIST Chemistry WebBook |
| Manual Xrefs | Databases |
|---|---|
| HMDB0059763 | HMDB |
| LSM-19990 | LINCS |
| Citations |
|---|