CHEBI:17254 - 4-methylcatechol

Main ChEBI Ontology Automatic Xrefs
ChEBI Name 4-methylcatechol
Definition A methylcatechol having a single methyl substituent at the 4-position. It has been isolated from Picea abies.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:20442, CHEBI:43962, CHEBI:1897, CHEBI:12025
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Formulae C7H8O2
Net Charge 0
Average Mass 124.13720
InChI InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3
SMILES Cc1ccc(O)c(O)c1
Metabolite of Species Details
Homo sapiens (NCBI:9606) See: PubMed
Roles Classification
Chemical Role(s): antioxidant
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. In European countries, E-numbers for permitted antioxidant food additives are from E 300 to E 324.
Biological Role(s): hapten
Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.
carcinogenic agent
A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4-methylcatechol (CHEBI:17254) has role antioxidant (CHEBI:22586)
4-methylcatechol (CHEBI:17254) has role carcinogenic agent (CHEBI:50903)
4-methylcatechol (CHEBI:17254) has role hapten (CHEBI:59174)
4-methylcatechol (CHEBI:17254) has role human metabolite (CHEBI:77746)
4-methylcatechol (CHEBI:17254) has role plant metabolite (CHEBI:76924)
4-methylcatechol (CHEBI:17254) is a methylcatechol (CHEBI:25289)
Synonyms Sources
1,2-Dihydroxy-4-methylbenzene KEGG COMPOUND
1,2-dihydroxy-4-methylbenzene ChEBI
2-Hydroxy-4-methylphenol NIST Chemistry WebBook
3,4-Dihydroxytoluene KEGG COMPOUND
3,4-dihydroxytoluene ChEBI
4-Methyl-1,2-benzenediol KEGG COMPOUND
4-methyl-1,2-benzenediol ChEBI
4-Methyl-1,2-dihydroxybenzene ChemIDplus
4-Methylcatechol KEGG COMPOUND
4-Methylpyrocatechol ChemIDplus
Homocatechol ChemIDplus
Homopyrocatechol NIST Chemistry WebBook
p-Methylcatechol ChemIDplus
p-Methylpyrocatechol ChemIDplus
Toluene-3,4-diol ChemIDplus
Database Links Databases
4-Methylcatechol Wikipedia
C00002660 KNApSAcK
c0126 UM-BBD
DB04120 DrugBank
View more database links
Registry Numbers Types Sources
452-86-8 CAS Registry Number KEGG COMPOUND
452-86-8 CAS Registry Number NIST Chemistry WebBook
452-86-8 CAS Registry Number ChemIDplus
636512 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
18499097 PubMed citation CiteXplore
Last Modified
11 November 2014