The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

Id	http://purl.obolibrary.org/obo/CHEBI_50749 http://purl.obolibrary.org/obo/CHEBI_50749
Preferred Name	calcipotriol
Synonyms	calcipotriol (1S,3R,5Z,7E,22E,24S)-26,27-cyclo-9,10-secocholesta-5,7,10,22-tetraene-1,3,24-triol Dovonex Calcipotriene C27H40O3 CALCIPOTRIOL Calcipotriol (1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R,3E,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol Daivonex
Type	http://www.w3.org/2002/07/owl#Class

label	calcipotriol
prefLabel	calcipotriol
is metabolised by	http://purl.obolibrary.org/obo/dinto_3952
blocks	http://purl.obolibrary.org/obo/dinto_2847
Definition	A seco-cholestane that has formula C27H40O3.
DBBrand	dovonex davonex
ATCCode	D05AX02
modulates	http://purl.obolibrary.org/obo/dinto_2847
SMILES	O[C@H](\C=C\[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)C1CC1 [H][C@@]1(CC[C@]2([H])[C@]1(C)CCC\\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C)[C@H](C)\\C=C\\[C@@H](O)C1CC1
InChI	InChI=1S/C27H40O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22-,23-,24+,25-,26+,27-/m1/s1
CASRN	112965-21-6
prefixIRI	obo2:CHEBI_50749
altId	CHEBI:43947 CHEBI:31335
Synonym	calcipotriol (1S,3R,5Z,7E,22E,24S)-26,27-cyclo-9,10-secocholesta-5,7,10,22-tetraene-1,3,24-triol Dovonex Calcipotriene C27H40O3 CALCIPOTRIOL Calcipotriol (1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R,3E,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol Daivonex See more See less
has effect	http://purl.obolibrary.org/obo/OAE_0000373 http://purl.obolibrary.org/obo/OAE_0001397 http://purl.obolibrary.org/obo/OAE_0000086 http://purl.obolibrary.org/obo/OAE_0000645 http://purl.obolibrary.org/obo/OAE_0000894 http://purl.obolibrary.org/obo/OAE_0000362 http://purl.obolibrary.org/obo/OAE_0001044 See more See less
binds	http://purl.obolibrary.org/obo/dinto_0859 http://purl.obolibrary.org/obo/dinto_2847 http://purl.obolibrary.org/obo/dinto_3952
has role	http://purl.obolibrary.org/obo/CHEBI_50748
DBname	calcipotriol
InChIKey	InChIKey=LWQQLNNNIPYSNX-UROSTWAQSA-N
subClassOf	http://purl.obolibrary.org/obo/dinto_000055
may interact with	http://purl.obolibrary.org/obo/dinto_DB00169 http://purl.obolibrary.org/obo/dinto_DB00364 http://purl.obolibrary.org/obo/dinto_DB01436 http://purl.obolibrary.org/obo/dinto_DB06723 http://purl.obolibrary.org/obo/dinto_DB01083
inhibits	http://purl.obolibrary.org/obo/dinto_0859
is substrate of	http://purl.obolibrary.org/obo/dinto_3952
type	http://www.w3.org/2002/07/owl#Class
xref	Drugs Product Database (DPD):1976133 KEGG DRUG:D01125 LIPID MAPS:LMST03020106 Patent:US4866048 IUPHAR:2778 ChEBI:50749 CASRN:112965-21-6 PharmGKB:PA448714 Wikipedia:http://en.wikipedia.org/wiki/Calcipotriol ChEMBL:774617 RxList:http://www.rxlist.com/cgi/generic/calcipo.htm Guide To Pharmacology:2778 National Drug Code Directory:0168-0400-60 PDB:MC9 Patent:WO8700834 PDBeChem:MC9 DrugBank:DB02300 See more See less
DBSynonym	calcipotriene

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