The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

Id	http://purl.obolibrary.org/obo/CHEBI_472805 http://purl.obolibrary.org/obo/CHEBI_472805
Preferred Name	ouabain
Synonyms	Ouabain G-Strophanthin Ouabain anhydrous Ouabaine 3-(alpha-L-rhamnopyranosyloxy)-1beta,5beta,11alpha,14,19-pentahydroxy-5beta-card-20(22)-enolide 4-[(1S,2R,3R,5S,7S,10R,11S,14R,15R,17R)-3,7,11,17-tetrahydroxy-2-(hydroxymethyl)-15-methyl-5-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2,5-dihydrofuran-2-one Strodival Ouabagenin L-Rhamnoside Oubain C29H44O12 3-(6-deoxy-alpha-L-mannopyranosyloxy)-1beta,5beta,11alpha,14,19-pentahydroxy-5beta-card-20(22)-enolide Ouabagenin-L-rhamnosid See more See less
Type	http://www.w3.org/2002/07/owl#Class

prefLabel	ouabain
label	ouabain
DBSynonym	g-strophanthin strophanthin g ouabain octahydrate strophanthin-g ouabagenin l-rhamnoside ouabain, octahydrate ouabaine See more See less
ATCCode	C01AC01
Definition	A multi-hydroxylated alpha-L-rhamnosyl cardenoloide. It binds to and inhibits the plasma membrane Na(+(/K)+)-ATPase (sodium pump).
altId	CHEBI:7805 CHEBI:44461
has pharmacological target	http://purl.obolibrary.org/obo/dinto_2664
inhibits	http://purl.obolibrary.org/obo/dinto_1975 http://purl.obolibrary.org/obo/dinto_2664 http://purl.obolibrary.org/obo/dinto_0269 http://purl.obolibrary.org/obo/dinto_1987
type	http://www.w3.org/2002/07/owl#Class
has role	http://purl.obolibrary.org/obo/CHEBI_38070 http://purl.obolibrary.org/obo/CHEBI_50184 http://purl.obolibrary.org/obo/CHEBI_23924 http://purl.obolibrary.org/obo/CHEBI_38147
InChIKey	InChIKey=LPMXVESGRSUGHW-HBYQJFLCSA-N
Synonym	Ouabain G-Strophanthin Ouabain anhydrous Ouabaine 3-(alpha-L-rhamnopyranosyloxy)-1beta,5beta,11alpha,14,19-pentahydroxy-5beta-card-20(22)-enolide 4-[(1S,2R,3R,5S,7S,10R,11S,14R,15R,17R)-3,7,11,17-tetrahydroxy-2-(hydroxymethyl)-15-methyl-5-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2,5-dihydrofuran-2-one Strodival Ouabagenin L-Rhamnoside Oubain C29H44O12 3-(6-deoxy-alpha-L-mannopyranosyloxy)-1beta,5beta,11alpha,14,19-pentahydroxy-5beta-card-20(22)-enolide Ouabagenin-L-rhamnosid See more See less
xref	KEGG DRUG:D00112 PubChem Compound:439501 ChemSpider:388599 Beilstein:101712 PubChem Substance:46505479 KEGG COMPOUND:C01443 PDBeChem:OBN Wikipedia:http://en.wikipedia.org/wiki/Ouabain PharmGKB:PA163522138 DrugBank:DB01092 CiteXplore:10438974 CASRN:630-60-4 ChEBI:472805 See more See less
CASRN	630-60-4
prefixIRI	obo2:CHEBI_472805
is transported by	http://purl.obolibrary.org/obo/dinto_1805 http://purl.obolibrary.org/obo/dinto_2019 http://purl.obolibrary.org/obo/dinto_1824 http://purl.obolibrary.org/obo/dinto_1822 http://purl.obolibrary.org/obo/dinto_1987
SMILES	[H][C@@]12CC[C@]3(O)C[C@H](C[C@@H](O)[C@]3(CO)[C@@]1([H])[C@H](O)C[C@]1(C)[C@H](CC[C@]21O)C1=CC(=O)OC1)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
DBname	ouabain
InChI	InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1
DBBrand	rectobaina uabaina strodival gratus strophanthin astrobain acocantherin uabanin strophalen g-strophicor purostrophan kombetin strophoperm gratibain strophosan solufantina See more See less
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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