The Prescription of Drugs Ontology

Last uploaded: September 4, 2020
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Preferred Name

acitretin
Synonyms

9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
Definitions

A retinoid that consists of 3,7-dimethylnona-2,4,6,8-tetraenoic acid having a 4-methoxy-2,3,6-trimethylphenyl group attached at position 9.
ID

http://purl.obolibrary.org/obo/CHEBI_50172
alternative term

9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
charge

0
database_cross_reference

LINCS:LSM-5713

Reaxys:15057225

CAS:54757-46-9
formula

C21H26O3
has_exact_synonym

9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
has_obo_namespace

chebi_ontology
has_RxCUI

16818
id

CHEBI:50172
in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR
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)
inchikey

IHUNBGSDBOWDMA-UHFFFAOYSA-N
label

acitretin

Acitretin
mass

326.42934
monoisotopicmass

326.18819
notation

CHEBI:50172
prefixIRI

CHEBI:50172
prefLabel

acitretin
smiles

[H]C(=CC(C)=CC(O)=O)C=C(C)C=C([H])c1c(C)cc(OC)c(C)c1C
textual definition

A retinoid that consists of 3,7-dimethylnona-2,4,6,8-tetraenoic acid having a 4-methoxy-2,3,6-trimethylphenyl group attached at position 9.
subClassOf

http://purl.obolibrary.org/obo/CHEBI_26537
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Mapping To Ontology Source
http://purl.obolibrary.org/obo/CHEBI_50172 HOIP SAME_URI
http://purl.obolibrary.org/obo/CHEBI_50172 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_50172 BERO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_50172 DDSS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_50172 TXPO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_50172 BIOMODELS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_50172 NIFSTD SAME_URI
http://purl.obolibrary.org/obo/CHEBI_50172 DRON SAME_URI
http://purl.obolibrary.org/obo/CHEBI_50172 DRON LOOM
http://purl.obolibrary.org/obo/OMIT_0017638 OMIT LOOM
http://purl.bioontology.org/ontology/PDQ/CDR0000043244 PDQ LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000148524 NDFRT LOOM
http://purl.obolibrary.org/obo/MESH_D017255 BERO LOOM
http://purl.bioontology.org/ontology/MESH/D017255 MESH LOOM
https://go.drugbank.com/drugs/DB00459 MDM LOOM
http://www.drugbank.ca/drugs/DB00459 FTC LOOM
http://www.co-ode.org/ontologies/galen#Acitretin GALEN LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D017255 RH-MESH LOOM
http://purl.bioontology.org/ontology/NDDF/004121 NDDF LOOM
http://purl.obolibrary.org/obo/CHEBI_50173 FIDEO LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C985 NCIT LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#13426 OCHV LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D02.455.849.131.495.050 RH-MESH LOOM
http://purl.bioontology.org/ontology/ATC/D05BB02 ATC LOOM
http://stirdf.jst.go.jp/id/200907077639878778 IOBC LOOM
http://purl.bioontology.org/ontology/RCD/m5A.. RCD LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D23.767.261.700.050 RH-MESH LOOM
http://purl.bioontology.org/ontology/RXNORM/16818 RXNORM LOOM
http://purl.bioontology.org/ontology/VANDF/4021061 VANDF LOOM
http://purl.obolibrary.org/obo/CHEBI_50172 HOIP LOOM
http://purl.obolibrary.org/obo/CHEBI_50172 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_50172 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_50172 DDSS LOOM
http://purl.obolibrary.org/obo/CHEBI_50172 TXPO LOOM
http://purl.obolibrary.org/obo/CHEBI_50172 BIOMODELS LOOM
http://purl.obolibrary.org/obo/CHEBI_50172 NIFSTD LOOM
http://purl.obolibrary.org/obo/NCIT_C985 BERO LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D02.455.326.271.665.202.495.050 RH-MESH LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/386938006 SNOMEDCT LOOM
http://www.phoc.org.cn/pmo/class/PMO_00016679 PMAPP-PMO LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0050559 OCHV LOOM
http://purl.jp/bio/4/id/200906058090717485 IOBC LOOM
http://purl.obolibrary.org/obo/DRON_00013468 ODNAE LOOM