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CHEBI:756330 - pengitoxin

Default Structure
ChEBI IDCHEBI:756330
ChEBI Namepengitoxin
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC51H74O19
Net Charge0
Average Mass991.134
Monoisotopic Mass990.48243
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@H](C5=CC(=O)OC5)[C@@H](OC(C)=O)C[C@]34O)[C@@]1(C)CC[C@H](O[C@H]1C[C@H](OC(C)=O)[C@H](O[C@H]3C[C@H](OC(C)=O)[C@H](O[C@H]4C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](C)O4)[C@@H](C)O3)[C@@H](C)O1)C2
InChIInChI=1S/C51H74O19/c1-24-46(67-31(8)56)37(63-27(4)52)20-43(61-24)69-48-26(3)62-44(21-39(48)65-29(6)54)70-47-25(2)60-42(19-38(47)64-28(5)53)68-34-13-15-49(9)33(18-34)11-12-36-35(49)14-16-50(10)45(32-17-41(57)59-23-32)40(66-30(7)55)22-51(36,50)58/h17,24-26,33-40,42-48,58H,11-16,18-23H2,1-10H3/t24-,25-,26-,33-,34+,35+,36-,37+,38+,39+,40+,42+,43+,44+,45+,46-,47-,48-,49+,50-,51+/m1/s1
InChIKeyJDYLJSDIEBHXPO-ALNZGLKXSA-N
Roles Classification
Application:
cardioprotective agent  Any protective agent that is able to prevent damage to the heart.
ChEBI Ontology
Outgoing Relation(s)
pengitoxin (CHEBI:756330) is a cardenolide glycoside (CHEBI:38092)
INNs  Source
pengitoxinWHO MedNet
pengitoxinaWHO MedNet
pengitoxineWHO MedNet
Synonym  Source
Gitoxin pentaacetateChEMBL