all-trans-acitretin (CHEBI:50173)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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.

Supplier Information

Download	Molfile XML SDF

Wikipedia	License

Read full article at Wikipedia

Formula

C21H26O3

Net Charge

Average Mass

326.42934

Monoisotopic Mass

326.18819

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.

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

Last Modified

22 February 2017