CHEBI:9958 - Vernadigin

ChEBI IDCHEBI:9958
ChEBI NameVernadigin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC30H44O10
Net Charge0
Average Mass564.672
Monoisotopic Mass564.29345
SMILES[H][C@]12CC[C@@]3(C)[C@](O)(C[C@H](O)[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/C30H44O10/c1-16-26(34)22(37-3)11-24(39-16)40-18-4-8-28(15-31)19-5-7-27(2)25(17-10-23(33)38-14-17)21(32)13-30(27,36)20(19)6-9-29(28,35)12-18/h10,15-16,18-22,24-26,32,34-36H,4-9,11-14H2,1-3H3/t16-,18+,19+,20-,21+,22-,24+,25+,26+,27-,28+,29+,30+/m1/s1
InChIKeyNAQIOLFTZRJOKV-OBDZMSMTSA-N
Roles Classification
Application:
cardioprotective agent  Any protective agent that is able to prevent damage to the heart.
ChEBI Ontology
Outgoing Relation(s)
Vernadigin (CHEBI:9958) is a cardenolide glycoside (CHEBI:38092)
Synonyms  Source
Strophadogenin 3-O-beta-D-diginosideKEGG COMPOUND
VernadiginKEGG COMPOUND
Manual XrefsDatabases
C00003641KNApSAcK
C08884KEGG COMPOUND
Registry NumbersSources
CAS:30285-47-3KEGG COMPOUND