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CHEBI:59106 - 5,6-dimethyl-3-pentadecylcatechol

ChEBI IDCHEBI:59106
ChEBI Name5,6-dimethyl-3-pentadecylcatechol
Stars
DefinitionCatechol substituted at positions 5 and 6 (3 and 4) with methyl groups and at position 6 (3) with a pentadecyl group.
Last Modified12 March 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC23H40O2
Net Charge0
Average Mass348.571
Monoisotopic Mass348.30283
SMILESCCCCCCCCCCCCCCCc1cc(C)c(C)c(O)c1O
InChIInChI=1S/C23H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-19(2)20(3)22(24)23(21)25/h18,24-25H,4-17H2,1-3H3
InChIKeyPICSKMJWWDBMPH-UHFFFAOYSA-N
Roles Classification
Biological Roles:
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.
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.
ChEBI Ontology
Outgoing Relation(s)
5,6-dimethyl-3-pentadecylcatechol (CHEBI:59106) has role allergen (CHEBI:50904)
5,6-dimethyl-3-pentadecylcatechol (CHEBI:59106) has role hapten (CHEBI:59174)
5,6-dimethyl-3-pentadecylcatechol (CHEBI:59106) is a catechols (CHEBI:33566)
IUPAC Name 
3,4-dimethyl-6-pentadecylbenzene-1,2-diol
Synonyms  Source
3,4-dimethyl-6-pentadecylcatecholChEBI
5,6-di-Me-PDCChEBI
Citations