deslanoside (CHEBI:31468)

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:31468 - deslanoside

ChEBI ID	CHEBI:31468
ChEBI Name	deslanoside
Stars
Definition	A cardenolide glycoside that is lanatoside C with the acetoxy group replaced by a hydroxy group.
Secondary ChEBI ID	CHEBI:565356
Last Modified	22 February 2017
Downloads	Molfile

Formula	C47H74O19
Net Charge	0
Average Mass	943.090
Monoisotopic Mass	942.48243
SMILES	[H][C@]1(O[C@H]2CC[C@@]3(C)[C@]([H])(CC[C@]4([H])[C@]3([H])C[C@@H](O)[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@@]34O)C2)C[C@H](O)[C@]([H])(O[C@H]2C[C@H](O)[C@]([H])(O[C@H]3C[C@H](O)[C@]([H])(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1
InChI	InChI=1S/C47H74O19/c1-20-41(64-36-16-30(50)42(21(2)60-36)65-37-17-31(51)43(22(3)61-37)66-44-40(56)39(55)38(54)32(18-48)63-44)29(49)15-35(59-20)62-25-8-10-45(4)24(13-25)6-7-27-28(45)14-33(52)46(5)26(9-11-47(27,46)57)23-12-34(53)58-19-23/h12,20-22,24-33,35-44,48-52,54-57H,6-11,13-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33-,35+,36+,37+,38-,39+,40-,41-,42-,43-,44+,45+,46+,47+/m1/s1
InChIKey	OBATZBGFDSVCJD-LALPQLPRSA-N

Wikipedia

Roles Classification

Biological Roles:

metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor An EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitor that interferes with the action of Na⁺/K⁺-transporting ATPase (EC 3.6.3.9).

Applications:

cardiotonic drug A drug that has a strengthening effect on the heart or that can increase cardiac output.

anti-arrhythmia drug A drug used for the treatment or prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres.

cardioprotective agent Any protective agent that is able to prevent damage to the heart.

ChEBI Ontology

Outgoing Relation(s)
	deslanoside (CHEBI:31468) has role anti-arrhythmia drug (CHEBI:38070)
	deslanoside (CHEBI:31468) has role cardiotonic drug (CHEBI:38147)
	deslanoside (CHEBI:31468) has role EC 3.6.3.9 (Na⁺/K⁺-transporting ATPase) inhibitor (CHEBI:63510)
	deslanoside (CHEBI:31468) has role metabolite (CHEBI:25212)
	deslanoside (CHEBI:31468) is a 12β-hydroxy steroid (CHEBI:36847)
	deslanoside (CHEBI:31468) is a 14β-hydroxy steroid (CHEBI:36862)
	deslanoside (CHEBI:31468) is a cardenolide glycoside (CHEBI:38092)
	deslanoside (CHEBI:31468) is a tetrasaccharide derivative (CHEBI:63567)

IUPAC Name
3β-{[β-D-glucopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl]oxy}-12β,14-dihydroxy-5β-card-20(22)-enolide

INNs	Source
deslanoside	ChemIDplus
deslanosido	ChemIDplus
deslanosidum	ChemIDplus

Synonyms	Source
3-[(O-β-D-glucopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-12,14-dihydroxy-3β,5β,12β-card-20(22)-enolide	ChEBI
(3β,5β,12β)-3-{[β-D-glucopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide	ChEBI
deacetyllanatoside C	ChemIDplus
desacetyllanatoside C	ChemIDplus
glucodigoxin	ChEBI

Manual Xrefs	Databases
813	DrugCentral
D01240	KEGG DRUG
DB01078	DrugBank
Deslanoside	Wikipedia

Registry Numbers	Sources
Beilstein:78187	Beilstein
CAS:17598-65-1	KEGG DRUG
CAS:17598-65-1	ChemIDplus

Citations