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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
| Id | http://purl.obolibrary.org/obo/CHEBI_53773
http://purl.obolibrary.org/obo/CHEBI_53773
|
|---|---|
| Preferred Name | 3'''-O-acetyldigitoxin |
| Synonyms |
alpha-Acetyldigitoxin
C43H66O14
Desglucolanatoside A
acetyldigitoxinum
Acetyldiginatin
3beta-[3-O-acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyloxy]-14-hydroxy-5beta-card-20(22)-enolide
acetildigitoxina
Digitoxin 3'''-acetate
(2R,3R,4S,6S)-3-hydroxy-6-{[(2R,3S,4S,6S)-4-hydroxy-6-{[(2R,3S,4S,6R)-4-hydroxy-6-{[(1S,2S,5S,7R,10R,11S,14R,15R)-11-hydroxy-2,15-dimethyl-14-(5-oxo-2,5-dihydrofuran-3-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl]oxy}-2-methyloxan-3-yl]oxy}-2-methyloxan-3-yl]oxy}-2-methyloxan-4-yl acetate
acetyldigitoxin
Acetyl-digitoxin-alpha
Acetylgitoxin
alpha-Monoacetyldigitoxin
Acetylgitaloxin
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|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| prefLabel | 3'''-O-acetyldigitoxin
|
|---|---|
| label | 3'''-O-acetyldigitoxin
|
| DBSynonym |
desglucolanatoside a
alpha-acetyldigitoxin
acetyldiginatin
3'''-o-acetyldigitoxin
alpha-monoacetyldigitoxin
acetylgitoxin
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|
| ATCCode | C01AA01
|
| Definition | A cardenolide glycoside compound consisting of digitoxin having an acetyl substituent at the 3-position on the D-ribo-hexopyranosyl residue at the non-reducing end.
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| has pharmacological target | |
| inhibits | |
| type | |
| has role | |
| InChIKey | InChIKey=HPMZBILYSWLILX-UMDUKNJSSA-N
|
| Synonym | alpha-Acetyldigitoxin
C43H66O14
Desglucolanatoside A
acetyldigitoxinum
Acetyldiginatin
3beta-[3-O-acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyloxy]-14-hydroxy-5beta-card-20(22)-enolide
acetildigitoxina
Digitoxin 3'''-acetate
(2R,3R,4S,6S)-3-hydroxy-6-{[(2R,3S,4S,6S)-4-hydroxy-6-{[(2R,3S,4S,6R)-4-hydroxy-6-{[(1S,2S,5S,7R,10R,11S,14R,15R)-11-hydroxy-2,15-dimethyl-14-(5-oxo-2,5-dihydrofuran-3-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl]oxy}-2-methyloxan-3-yl]oxy}-2-methyloxan-3-yl]oxy}-2-methyloxan-4-yl acetate
acetyldigitoxin
Acetyl-digitoxin-alpha
Acetylgitoxin
alpha-Monoacetyldigitoxin
Acetylgitaloxin
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| xref |
CASRN:1111-39-3
DrugBank:DB00511
Beilstein:77291
Wikipedia:http://en.wikipedia.org/wiki/Acetyldigitoxin
KEGG GLYCAN:G02557
PharmGKB:PA164746246
KEGG DRUG:D06881
ChEBI:53773
Patent:US2776963
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| CASRN | 25395-32-8
|
| prefixIRI | obo2:CHEBI_53773
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| SMILES | [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](OC(C)=O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1
[H][C@@]1(CC[C@]2(O)[C@]3([H])CC[C@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](OC(C)=O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1)C1=CC(=O)OC1
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| DBname | acetyldigitoxin
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| InChI | InChI=1S/C43H66O14/c1-21-38(48)33(54-24(4)44)19-37(51-21)57-40-23(3)53-36(18-32(40)46)56-39-22(2)52-35(17-31(39)45)55-27-9-12-41(5)26(16-27)7-8-30-29(41)10-13-42(6)28(11-14-43(30,42)49)25-15-34(47)50-20-25/h15,21-23,26-33,35-40,45-46,48-49H,7-14,16-20H2,1-6H3/t21-,22-,23-,26-,27+,28-,29+,30-,31+,32+,33+,35+,36+,37+,38-,39-,40-,41+,42-,43+/m1/s1
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| DBBrand | acigoxin
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| subClassOf |
| Delete | Subject | Author | Type | Created |
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