CHEBI:2867 - Asclepin

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ChEBI Name Asclepin
ChEBI ID CHEBI:2867
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C31H42O10
Net Charge 0
Average Mass 574.660
Monoisotopic Mass 574.27780
InChI InChI=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
InChIKey OXKMZIABKYHLAR-SVDYBJNLSA-N
SMILES C[C@@H]1C[C@H](OC(C)=O)[C@]2(O)O[C@@H]3C[C@@]4(C=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C[C@H]3O[C@@H]2O1
Roles Classification
Application(s): cardioprotective agent
Any protective agent that is able to prevent damage to the heart.
(via cardiac glycoside )
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ChEBI Ontology
Outgoing Asclepin (CHEBI:2867) is a cardenolide glycoside (CHEBI:38092)
Synonym Source
Asclepin KEGG COMPOUND
Manual Xrefs Databases
C00003603 KNApSAcK
C08849 KEGG COMPOUND
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Registry Number Type Source
36573-63-4 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014