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CHEBI:2867 - Asclepin

Default Structure
ChEBI IDCHEBI:2867
ChEBI NameAsclepin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC31H42O10
Net Charge0
Average Mass574.667
Monoisotopic Mass574.27780
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@]3(O)CC[C@]4([H])C3=CC(=O)OC3)[C@@]1(C=O)C[C@@]1([H])O[C@@]3(O)[C@@H](OC(C)=O)C[C@@H](C)O[C@@]3([H])O[C@]1([H])C2
InChIInChI=1S/C31H42O10/c1-16-10-25(39-17(2)33)31(36)27(38-16)40-23-12-19-4-5-22-21(29(19,15-32)13-24(23)41-31)6-8-28(3)20(7-9-30(22,28)35)18-11-26(34)37-14-18/h11,15-16,19-25,27,35-36H,4-10,12-14H2,1-3H3/t16-,19+,20-,21+,22-,23-,24-,25+,27+,28-,29-,30+,31+/m1/s1
InChIKeyOXKMZIABKYHLAR-SVDYBJNLSA-N
Roles Classification
Application:
cardioprotective agent  Any protective agent that is able to prevent damage to the heart.
ChEBI Ontology
Outgoing Relation(s)
Asclepin (CHEBI:2867) is a cardenolide glycoside (CHEBI:38092)
Synonym  Source
AsclepinKEGG COMPOUND
Manual XrefsDatabases
C00003603KNApSAcK
C08849KEGG COMPOUND
Registry NumbersSources
CAS:36573-63-4KEGG COMPOUND