The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

Id	http://purl.obolibrary.org/obo/CHEBI_4913 http://purl.obolibrary.org/obo/CHEBI_4913
Preferred Name	etretinate
Synonyms	3,7-Dimethyl-9-(4-methoxy-2,3,6-trimethylphenyl)-2,4,6,8-nonanetetraenoic acid ethyl ester etretinato Ethyl all-trans-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoate ethyl 9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate etretinatum Ethyl (all-E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoate ethyl (2E,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate etretinate C23H30O3
Type	http://www.w3.org/2002/07/owl#Class

prefLabel	etretinate
label	etretinate
ATCCode	D05BB01
Definition	A retinoid that has formula C23H30O3.
has pharmacological target	http://purl.obolibrary.org/obo/dinto_1682 http://purl.obolibrary.org/obo/dinto_0736 http://purl.obolibrary.org/obo/dinto_3327 http://purl.obolibrary.org/obo/dinto_1077 http://purl.obolibrary.org/obo/dinto_2703 http://purl.obolibrary.org/obo/dinto_3482 See more See less
activates	http://purl.obolibrary.org/obo/dinto_1682 http://purl.obolibrary.org/obo/dinto_0736 http://purl.obolibrary.org/obo/dinto_3327 http://purl.obolibrary.org/obo/dinto_1077 http://purl.obolibrary.org/obo/dinto_2703 http://purl.obolibrary.org/obo/dinto_3482 See more See less
inhibits	http://purl.obolibrary.org/obo/dinto_3102
type	http://www.w3.org/2002/07/owl#Class
has role	http://purl.obolibrary.org/obo/CHEBI_50176
InChIKey	InChIKey=HQMNCQVAMBCHCO-DJRRULDNSA-N
is metabolised by	http://purl.obolibrary.org/obo/dinto_1534
Synonym	3,7-Dimethyl-9-(4-methoxy-2,3,6-trimethylphenyl)-2,4,6,8-nonanetetraenoic acid ethyl ester etretinato Ethyl all-trans-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoate ethyl 9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate etretinatum Ethyl (all-E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoate ethyl (2E,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate etretinate C23H30O3 See more See less
xref	CASRN:54350-48-0 Wikipedia:http://en.wikipedia.org/wiki/Etretinate KEGG DRUG:D00316 PubChem Compound:5282375 Wikipedia:Etretinate DrugBank:DB00926 ChEBI:4913 Patent:US4215215 LIPID MAPS:LMPR01090046 Patent:US4105681 PubChem Substance:46504486 ChemSpider:3196 Patent:DE2414619 Beilstein:2225606 ChEMBL:104193 PharmGKB:PA449554 See more See less
CASRN	54350-48-0
prefixIRI	obo2:CHEBI_4913
related with	http://purl.obolibrary.org/obo/dinto_0263
SMILES	CCOC(=O)\\C=C(C)\\C=C\\C=C(C)\\C=C\\c1c(C)cc(OC)c(C)c1C CCOC(=O)C=C(C)C=CC=C(C)C=CC1=C(C)C(C)=C(OC)C=C1C
may interact with	http://purl.obolibrary.org/obo/CHEBI_44185 http://purl.obolibrary.org/obo/CHEBI_63334 http://purl.obolibrary.org/obo/CHEBI_50845 http://purl.obolibrary.org/obo/CHEBI_27701 http://purl.obolibrary.org/obo/CHEBI_6805 http://purl.obolibrary.org/obo/CHEBI_27902 http://purl.obolibrary.org/obo/CHEBI_50694 http://purl.obolibrary.org/obo/CHEBI_4392 See more See less
DBname	etretinate
InChI	InChI=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+
DBBrand	tegison tigason
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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