CHEBI:59111 - 3-pentadecylcatechol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-pentadecylcatechol
ChEBI ID CHEBI:59111
Definition Catechol substituted at position 3 with a pentadecyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:103066
Supplier Information
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Formula C21H36O2
Net Charge 0
Average Mass 320.50930
Monoisotopic Mass 320.27153
InChI InChI=1S/C21H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21(19)23/h15,17-18,22-23H,2-14,16H2,1H3
InChIKey DQTMTQZSOJMZSF-UHFFFAOYSA-N
SMILES CCCCCCCCCCCCCCCc1cccc(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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-pentadecylcatechol (CHEBI:59111) has role allergen (CHEBI:50904)
3-pentadecylcatechol (CHEBI:59111) is a catechols (CHEBI:33566)
IUPAC Name
3-pentadecylbenzene-1,2-diol
Synonyms Sources
3-n-Pentadecylcatechol ChemIDplus
3-n-Pentadecylpyrocatechol ChemIDplus
3-PDC ChEBI
3-Pentadecacatechol ChemIDplus
3-Pentadecyl-benzene-1,2-diol ChEMBL
3-Pentadecylcatechol ChemIDplus
Dihydrorhengol ChemIDplus
Hydroureshiol ChemIDplus
PDC ChEBI
Tetrahydrourushiol ChemIDplus
Registry Numbers Types Sources
1885390 Beilstein Registry Number Beilstein
1885390 Reaxys Registry Number Reaxys
492-89-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
10651166 PubMed citation Europe PMC
124541 PubMed citation Europe PMC
18918804 PubMed citation Europe PMC
21015760 PubMed citation Europe PMC
3742608 PubMed citation Europe PMC
6827123 PubMed citation Europe PMC
Last Modified
12 March 2019