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

Default Structure
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:
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.
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.
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