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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5,6-dimethyl-3-pentadecylcatechol
ChEBI ID CHEBI:59106
Definition Catechol substituted at positions 5 and 6 (3 and 4) with methyl groups and at position 6 (3) with a pentadecyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C23H40O2
Net Charge 0
Average Mass 348.56250
Monoisotopic Mass 348.30283
InChI InChI=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
InChIKey PICSKMJWWDBMPH-UHFFFAOYSA-N
SMILES CCCCCCCCCCCCCCCc1cc(C)c(C)c(O)c1O
Roles Classification
Biological Role(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
3,4-dimethyl-6-pentadecylcatechol ChEBI
5,6-di-Me-PDC ChEBI
Citation Waiting for Citations Type Source
3742608 PubMed citation Europe PMC
Last Modified
12 March 2019