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CHEBI:4037 - Cymarin

Default Structure
ChEBI IDCHEBI:4037
ChEBI NameCymarin
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC30H44O9
Net Charge0
Average Mass548.673
Monoisotopic Mass548.29853
SMILES[H][C@]12CC[C@@]3(C)[C@](O)(CC[C@]3([H])C3=CC(=O)OC3)[C@]1([H])CC[C@]1(O)C[C@@H](O[C@H]3C[C@H](OC)[C@H](O)[C@@H](C)O3)CC[C@@]12C=O
InChIInChI=1S/C30H44O9/c1-17-26(33)23(36-3)13-25(38-17)39-19-4-9-28(16-31)21-5-8-27(2)20(18-12-24(32)37-15-18)7-11-30(27,35)22(21)6-10-29(28,34)14-19/h12,16-17,19-23,25-26,33-35H,4-11,13-15H2,1-3H3/t17-,19+,20-,21+,22-,23+,25+,26-,27-,28+,29+,30+/m1/s1
InChIKeyXQCGNURMLWFQJR-ZNDDOCHDSA-N
Roles Classification
Applications:
cardiovascular drug  A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.
cardioprotective agent  Any protective agent that is able to prevent damage to the heart.
ChEBI Ontology
Outgoing Relation(s)
Cymarin (CHEBI:4037) has role cardiovascular drug (CHEBI:35554)
Cymarin (CHEBI:4037) is a cardenolide glycoside (CHEBI:38092)
Synonyms  Source
CymarinKEGG COMPOUND
CymarineChEMBL
K-strophanthin-.alpha.ChEMBL
K-strophanthin-alphaChEMBL
NSC-7522ChEMBL
Strophanthidin 3-O-beta-D-cymarosideKEGG COMPOUND
Manual XrefsDatabases
4408DrugCentral
C00003613KNApSAcK
C08859KEGG COMPOUND
Registry NumbersSources
CAS:508-77-0KEGG COMPOUND
Citations