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

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ChEBI Name	4,5,6-trimethyl-3-pentadecylcatechol

ChEBI ID	CHEBI:59109

Definition	Catechol substituted at positions 3, 4 and 5 (4, 5 and 6) 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

Download	Molfile XML SDF

Formula

C24H42O2

Net Charge

Average Mass

362.58910

Monoisotopic Mass

362.31848

InChI

InChI=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

InChIKey

LDSXBSAASMZCGN-UHFFFAOYSA-N

SMILES

CCCCCCCCCCCCCCCc1c(C)c(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.

ChEBI Ontology
Outgoing	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	Sources
3,4,5-trimethyl-6-pentadecylcatechol	ChEBI
4,5,6-tri-Me-PDC	ChEBI

Citation	Type	Source
3742608	PubMed citation	Europe PMC

Last Modified

12 March 2019