EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:4913 - etretinate

ChEBI IDCHEBI:4913
ChEBI Nameetretinate
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC23H30O3
Net Charge0
Average Mass354.490
Monoisotopic Mass354.21949
SMILESCCOC(=O)/C=C(C)/C=C/C=C(C)/C=C/c1c(C)cc(OC)c(C)c1C
InChIInChI=1S/C23H30O3/c1-8-26-23(24)14-17(3)11-9-10-16(2)12-13-21-18(4)15-22(25-7)20(6)19(21)5/h9-15H,8H2,1-7H3/b11-9+,13-12+,16-10+,17-14+
InChIKeyHQMNCQVAMBCHCO-DJRRULDNSA-N
Wikipedia
Roles Classification
Application:
keratolytic drug  A drug that softens, separates, and causes desquamation of the cornified epithelium or horny layer of skin. Keratolytic drugs are used to expose mycelia of infecting fungi or to treat corns, warts, and certain other skin diseases.
ChEBI Ontology
Outgoing Relation(s)
etretinate (CHEBI:4913) has role keratolytic drug (CHEBI:50176)
etretinate (CHEBI:4913) is a enoate ester (CHEBI:51702)
etretinate (CHEBI:4913) is a ethyl ester (CHEBI:23990)
etretinate (CHEBI:4913) is a retinoid (CHEBI:26537)
IUPAC Name 
ethyl (2E,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate
INNs  Source
etretinateChemIDplus
etretinatoChemIDplus
etretinatumChemIDplus
étrétinateChEBI
Synonyms  Source
3,7-Dimethyl-9-(4-methoxy-2,3,6-trimethylphenyl)-2,4,6,8-nonanetetraenoic acid ethyl esterChemIDplus
Ethyl (all-E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoateChemIDplus
Ethyl all-trans-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoateChemIDplus
Brand Names  Source
TigasonDrugBank
TegisonDrugBank
Manual XrefsDatabases
D00316KEGG DRUG
DB00926DrugBank
DE2414619Patent
US4105681Patent
US4215215Patent
LMPR01090046LIPID MAPS
EtretinateWikipedia
1116DrugCentral
Registry NumbersSources
Beilstein:2225606Beilstein
CAS:54350-48-0ChemIDplus