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CHEBI:59109 - 4,5,6-trimethyl-3-pentadecylcatechol

ChEBI IDCHEBI:59109
ChEBI Name4,5,6-trimethyl-3-pentadecylcatechol
Stars
DefinitionCatechol substituted at positions 3, 4 and 5 (4, 5 and 6) with methyl groups and at position 6 (3) with a pentadecyl group.
Last Modified12 March 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC24H42O2
Net Charge0
Average Mass362.598
Monoisotopic Mass362.31848
SMILESCCCCCCCCCCCCCCCc1c(C)c(C)c(C)c(O)c1O
InChIInChI=1S/C24H42O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-20(3)19(2)21(4)23(25)24(22)26/h25-26H,5-18H2,1-4H3
InChIKeyLDSXBSAASMZCGN-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)
4,5,6-trimethyl-3-pentadecylcatechol (CHEBI:59109) has role allergen (CHEBI:50904)
4,5,6-trimethyl-3-pentadecylcatechol (CHEBI:59109) has role hapten (CHEBI:59174)
4,5,6-trimethyl-3-pentadecylcatechol (CHEBI:59109) is a catechols (CHEBI:33566)
IUPAC Name 
3,4,5-trimethyl-6-pentadecylbenzene-1,2-diol
Synonyms  Source
3,4,5-trimethyl-6-pentadecylcatecholChEBI
4,5,6-tri-Me-PDCChEBI
Registry NumbersSources
Beilstein:3062782Beilstein
CAS:16273-19-1ChemIDplus
Citations