CHEBI:50173 - all-trans-acitretin

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ChEBI Name all-trans-acitretin
ChEBI ID CHEBI:50173
ChEBI ASCII Name all-trans-acitretin
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C21H26O3
Net Charge 0
Average Mass 326.42934
Monoisotopic Mass 326.188
InChI InChI=1S/C21H26O3/c1-14(8-7-9-15(2)12-21(22)23)10-11-19-16(3)13-20(24-6)18(5)17(19)4/h7-13H,1-6H3,(H,22,23)/b9-7+,11-10+,14-8+,15-12+
InChIKey IHUNBGSDBOWDMA-AQFIFDHZSA-N
SMILES COc1cc(C)c(\C=C\C(C)=C\C=C\C(C)=C\C(O)=O)c(C)c1C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Application(s): 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.
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ChEBI Ontology
Outgoing all-trans-acitretin (CHEBI:50173) has role keratolytic drug (CHEBI:50176)
all-trans-acitretin (CHEBI:50173) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
all-trans-acitretin (CHEBI:50173) is a acitretin (CHEBI:50172)
all-trans-acitretin (CHEBI:50173) is a retinoid (CHEBI:26537)
IUPAC Name
(2E,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
INN Source
acitretin KEGG DRUG
Synonyms Sources
(all-E)-9-(4-Methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoic acid ChemIDplus
Acitretina ChemIDplus
Acitretine ChemIDplus
Acitretinum ChemIDplus
all-trans-3,7-Dimethyl-9-(4-methoxy-2,3,6-trimethylphenyl)-2,4,6,8-nonatetraenoic acid ChemIDplus
Etretin ChemIDplus
Brand Names Sources
Neotigason ChEBI
Soriatane DrugBank
Manual Xrefs Databases
78 DrugCentral
Acitretin Wikipedia
D02754 KEGG DRUG
DB00459 DrugBank
DE2414619 Patent
US4105681 Patent
View more database links
Registry Numbers Types Sources
2458933 Beilstein Registry Number Beilstein
55079-83-9 CAS Registry Number ChemIDplus
Last Modified
22 February 2017