CHEBI:52681 - 5-(pentadeca-8,11,14-trien-1-yl)resorcinol monomethyl ether

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ChEBI Name 5-(pentadeca-8,11,14-trien-1-yl)resorcinol monomethyl ether
ChEBI ID CHEBI:52681
Definition A phenol compound having a methoxy substituent at the 3-position and a 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 C22H32O2
Net Charge 0
Average Mass 328.48830
Monoisotopic Mass 328.24023
InChI InChI=1S/C22H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-21(23)19-22(18-20)24-2/h3,5-6,8-9,17-19,23H,1,4,7,10-16H2,2H3/b6-5-,9-8-
InChIKey GKGSHNPKQBMHTD-AFJQJTPPSA-N
SMILES COc1cc(O)cc(CCCCCCC\C=C/C\C=C/CC=C)c1
ChEBI Ontology
Outgoing 5-(pentadeca-8,11,14-trien-1-yl)resorcinol monomethyl ether (CHEBI:52681) has functional parent resorcinol (CHEBI:27810)
5-(pentadeca-8,11,14-trien-1-yl)resorcinol monomethyl ether (CHEBI:52681) is a monomethoxybenzene (CHEBI:25235)
5-(pentadeca-8,11,14-trien-1-yl)resorcinol monomethyl ether (CHEBI:52681) is a phenols (CHEBI:33853)
IUPAC Name
3-methoxy-5-[(8Z,11Z)-pentadeca-8,11,14-trien-1-yl]phenol
Synonym Source
(8Z,11Z)-5-(pentadeca- 8,11,14-trien-1-yl)resorcinol-3-methyl ether UniProt
Last Modified
21 July 2015
Submitter Remark
2009-07-01 11:01:07.0 Kristian Axelsen Discussed in pmid:17998204 fig. 1