The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

Preferred Name	all-trans-acitretin
Synonyms	Neotigason all-trans-3,7-Dimethyl-9-(4-methoxy-2,3,6-trimethylphenyl)-2,4,6,8-nonatetraenoic acid C21H26O3 Soriatane (all-E)-9-(4-Methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoic acid Etretin acitretin (2E,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid Acitretinum Acitretina Acitretine
ID	http://purl.obolibrary.org/obo/CHEBI_50173
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 http://purl.obolibrary.org/obo/dinto_1112
AHFScode	84:92.00
ATCCode	D05BB02
binds	http://purl.obolibrary.org/obo/dinto_0217 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 http://purl.obolibrary.org/obo/dinto_1112 http://purl.obolibrary.org/obo/dinto_1534
CASRN	55079-83-9
DBBrand	neotigason soriatane
DBname	acitretin
DBSynonym	acetretin
Definition	An acitretin that has formula C21H26O3.
has effect	http://purl.obolibrary.org/obo/OAE_0000453 http://purl.obolibrary.org/obo/OAE_0000573 http://purl.obolibrary.org/obo/OAE_0000905 http://purl.obolibrary.org/obo/OAE_0000377 http://purl.obolibrary.org/obo/OAE_0001510 http://purl.obolibrary.org/obo/OAE_0000902 http://purl.obolibrary.org/obo/OAE_0000391 http://purl.obolibrary.org/obo/OAE_0000596 http://purl.obolibrary.org/obo/OAE_0000406 http://purl.obolibrary.org/obo/OAE_0000561 http://purl.obolibrary.org/obo/OAE_0001509 http://purl.obolibrary.org/obo/OAE_0000900 http://purl.obolibrary.org/obo/OAE_0000443 http://purl.obolibrary.org/obo/OAE_0000921 http://purl.obolibrary.org/obo/OAE_0000308 http://purl.obolibrary.org/obo/OAE_0000611 http://purl.obolibrary.org/obo/OAE_0001455 http://purl.obolibrary.org/obo/OAE_0000567 http://purl.obolibrary.org/obo/OAE_0000415 http://purl.obolibrary.org/obo/OAE_0000195 http://purl.obolibrary.org/obo/OAE_0000373 http://purl.obolibrary.org/obo/OAE_0000210 http://purl.obolibrary.org/obo/OAE_0000021 http://purl.obolibrary.org/obo/OAE_0000317 http://purl.obolibrary.org/obo/OAE_0001595 http://purl.obolibrary.org/obo/OAE_0000333 http://purl.obolibrary.org/obo/OAE_0000805 http://purl.obolibrary.org/obo/OAE_0000250 http://purl.obolibrary.org/obo/OAE_0001073 http://purl.obolibrary.org/obo/OAE_0000600 http://purl.obolibrary.org/obo/OAE_0000050 http://purl.obolibrary.org/obo/OAE_0000608 http://purl.obolibrary.org/obo/OAE_0000375 http://purl.obolibrary.org/obo/OAE_0000691 http://purl.obolibrary.org/obo/OAE_0000687 http://purl.obolibrary.org/obo/OAE_0000517 http://purl.obolibrary.org/obo/OAE_0000498 http://purl.obolibrary.org/obo/OAE_0000943 http://purl.obolibrary.org/obo/OAE_0000502 http://purl.obolibrary.org/obo/OAE_0000312 http://purl.obolibrary.org/obo/OAE_0000419 http://purl.obolibrary.org/obo/OAE_0001374 http://purl.obolibrary.org/obo/OAE_0000086 http://purl.obolibrary.org/obo/OAE_0000510 http://purl.obolibrary.org/obo/OAE_0000645 http://purl.obolibrary.org/obo/OAE_0001382 http://purl.obolibrary.org/obo/OAE_0002206 http://purl.obolibrary.org/obo/OAE_0000533 http://purl.obolibrary.org/obo/OAE_0000473 http://purl.obolibrary.org/obo/OAE_0000414 http://purl.obolibrary.org/obo/OAE_0000607 http://purl.obolibrary.org/obo/OAE_0000789 http://purl.obolibrary.org/obo/OAE_0000034 http://purl.obolibrary.org/obo/OAE_0000495 http://purl.obolibrary.org/obo/OAE_0000508 http://purl.obolibrary.org/obo/OAE_0000401 http://purl.obolibrary.org/obo/OAE_0000343 http://purl.obolibrary.org/obo/OAE_0000505 http://purl.obolibrary.org/obo/OAE_0000385 http://purl.obolibrary.org/obo/OAE_0000468 http://purl.obolibrary.org/obo/OAE_0000602 http://purl.obolibrary.org/obo/OAE_0000487 http://purl.obolibrary.org/obo/OAE_0001052 http://purl.obolibrary.org/obo/OAE_0001217 http://purl.obolibrary.org/obo/OAE_0000396 http://purl.obolibrary.org/obo/OAE_0000390 http://purl.obolibrary.org/obo/OAE_0000362 http://purl.obolibrary.org/obo/OAE_0000470 http://purl.obolibrary.org/obo/OAE_0000565 http://purl.obolibrary.org/obo/OAE_0000374 http://purl.obolibrary.org/obo/OAE_0001166 http://purl.obolibrary.org/obo/OAE_0000211 http://purl.obolibrary.org/obo/OAE_0000716 http://purl.obolibrary.org/obo/OAE_0000402 http://purl.obolibrary.org/obo/OAE_0000350
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
has role	http://purl.obolibrary.org/obo/CHEBI_50176
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	InChIKey=IHUNBGSDBOWDMA-AQFIFDHZSA-N
is metabolised by	http://purl.obolibrary.org/obo/dinto_1534
is substrate of	http://purl.obolibrary.org/obo/dinto_1534
label	all-trans-acitretin
may interact with	http://purl.obolibrary.org/obo/CHEBI_7627 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/dinto_DB00162 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
modulates	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 http://purl.obolibrary.org/obo/dinto_1112
prefixIRI	obo2:CHEBI_50173
prefLabel	all-trans-acitretin
related with	http://purl.obolibrary.org/obo/dinto_0217
SMILES	COc1cc(C)c(\\C=C\\C(C)=C\\C=C\\C(C)=C\\C(O)=O)c(C)c1C COC1=C(C)C(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C(O)=O)C(C)=C1
Synonym	Neotigason all-trans-3,7-Dimethyl-9-(4-methoxy-2,3,6-trimethylphenyl)-2,4,6,8-nonatetraenoic acid C21H26O3 Soriatane (all-E)-9-(4-Methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoic acid Etretin acitretin (2E,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid Acitretinum Acitretina Acitretine
xref	Drugs Product Database (DPD):2070847 DrugBank:DB00459 Wikipedia:Acitretin ChEBI:50173 Drugs.com:http://www.drugs.com/cdi/acitretin.html Wikipedia:http://en.wikipedia.org/wiki/Acitretin National Drug Code Directory:0145-0090-25 KEGG DRUG:D02754 RxList:http://www.rxlist.com/cgi/generic3/acitretin.htm Beilstein:2458933 Patent:US4105681 PDRhealth:http://www.pdrhealth.com/drug_info/rxdrugprofiles/drugs/sor1698.shtml Patent:DE2414619 CASRN:55079-83-9 ChEMBL:269652 PharmGKB:PA448039
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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Mapping To	Ontology	Source
http://purl.obolibrary.org/obo/CHEBI_50173	FIDEO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_50173	CHEBI	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_50173	BERO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_50173	BIOMODELS	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_50173	CHEBI	LOOM
http://purl.obolibrary.org/obo/CHEBI_50173	BERO	LOOM
http://purl.obolibrary.org/obo/CHEBI_50173	BIOMODELS	LOOM