EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:51202 - calix[4]arene

ChEBI IDCHEBI:51202
ChEBI Namecalix[4]arene
Stars
Last Modified19 January 2009
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC28H24
Net Charge0
Average Mass360.500
Monoisotopic Mass360.18780
SMILESc1cc2cc(c1)Cc1cccc(c1)Cc1cccc(c1)Cc1cccc(c1)C2
InChIInChI=1S/C28H24/c1-5-21-13-22(6-1)18-24-8-3-10-26(15-24)20-28-12-4-11-27(16-28)19-25-9-2-7-23(14-25)17-21/h1-16H,17-20H2
InChIKeyGQPLZGRPYWLBPW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
calix[4]arene (CHEBI:51202) is a calixarene (CHEBI:51198)
Incoming Relation(s)
calixresorc[4]arene (CHEBI:51415) has parent hydride calix[4]arene (CHEBI:51202)
IUPAC Name 
pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene
Registry NumbersSources
Beilstein:4815829Beilstein