CHEBI:3329 - Calotropin

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ChEBI Name Calotropin
ChEBI ID CHEBI:3329
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C29H40O9
Net Charge 0
Average Mass 532.624
Monoisotopic Mass 532.26723
InChI InChI=1S/C29H40O9/c1-15-9-23(31)29(34)25(36-15)37-21-11-17-3-4-20-19(27(17,14-30)12-22(21)38-29)5-7-26(2)18(6-8-28(20,26)33)16-10-24(32)35-13-16/h10,14-15,17-23,25,31,33-34H,3-9,11-13H2,1-2H3/t15-,17+,18-,19+,20-,21-,22-,23+,25+,26-,27-,28+,29+/m1/s1
InChIKey OWPWFVVPBYFKBG-NYVHBPEFSA-N
SMILES C[C@@H]1C[C@H](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 Calotropin (CHEBI:3329) is a cardenolide glycoside (CHEBI:38092)
Synonym Source
Calotropin KEGG COMPOUND
Manual Xrefs Databases
C00003609 KNApSAcK
C08855 KEGG COMPOUND
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Registry Number Type Source
1986-70-5 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014