CHEBI:52680 - 5-(pentadeca-8,11,14-trien-1-yl)resorcinol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5-(pentadeca-8,11,14-trien-1-yl)resorcinol
ChEBI ID CHEBI:52680
Definition A resorcinol compound having an 8-cis,11-cis-pentadeca-8,11,14-trien-1-yl substituent at the 5-position.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C21H30O2
Net Charge 0
Average Mass 314.46170
Monoisotopic Mass 314.22458
InChI InChI=1S/C21H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h2,4-5,7-8,16-18,22-23H,1,3,6,9-15H2/b5-4-,8-7-
InChIKey OOXBEOHCOCMKAC-UTOQUPLUSA-N
SMILES Oc1cc(O)cc(CCCCCCC\C=C/C\C=C/CC=C)c1
ChEBI Ontology
Outgoing 5-(pentadeca-8,11,14-trien-1-yl)resorcinol (CHEBI:52680) has functional parent resorcinol (CHEBI:27810)
5-(pentadeca-8,11,14-trien-1-yl)resorcinol (CHEBI:52680) is a 5-alkatrienylresorcinol (CHEBI:52731)
IUPAC Name
5-[(8Z,11Z)-pentadeca-8,11,14-trien-1-yl]benzene-1,3-diol
Synonyms Sources
(8Z,11Z)-5-(pentadeca-8,11,14-trien-1-yl)resorcinol UniProt
5-(8Z,11Z,14-Pentadecatrienyl)resorcinol ChemIDplus
Cardol triene ChemIDplus
Registry Numbers Types Sources
5066815 Beilstein Registry Number Beilstein
79473-24-8 CAS Registry Number ChemIDplus
Last Modified
24 January 2011
Submitter Remark
2009-07-01 10:53:47.0 Kristian Axelsen Discussed in pmid:17998204 fig. 1