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CHEBI:233596 - periplocin

ChEBI IDCHEBI:233596
ChEBI Nameperiplocin
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC36H56O13
Net Charge0
Average Mass696.831
Monoisotopic Mass696.37209
SMILES[H][C@]1(O[C@@]2([H])C[C@]([H])(OC)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@@]([H])(C)O2)CC[C@@]2(C)[C@](O)(CC[C@]3([H])[C@]2([H])CC[C@@]2(C)[C@]3(O)CC[C@]2([H])C2=CC(=O)OC2)C1
InChIInChI=1S/C36H56O13/c1-18-31(49-32-30(41)29(40)28(39)25(16-37)48-32)24(44-4)14-27(46-18)47-20-5-9-33(2)22-6-10-34(3)21(19-13-26(38)45-17-19)8-12-36(34,43)23(22)7-11-35(33,42)15-20/h13,18,20-25,27-32,37,39-43H,5-12,14-17H2,1-4H3/t18-,20+,21-,22+,23-,24+,25-,27+,28-,29+,30-,31-,32+,33-,34-,35+,36+/m1/s1
InChIKeyKWBPKUMWVXUSCA-AXQDKOMKSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Periploca sepium (ncbitaxon:190712) - PubMed (23365613)
Roles Classification
Application:
cardioprotective agent  Any protective agent that is able to prevent damage to the heart.
ChEBI Ontology
Outgoing Relation(s)
periplocin (CHEBI:233596) is a cardiac glycoside (CHEBI:83970)
IUPAC Name 
3-[(3S,5S,8R,9S,10R,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4S,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Manual XrefsDatabases
https://en.wikipedia.org/wiki/PeriplocinWikipedia
Registry NumbersSources
CAS:13137-64-9SUBMITTER
Citations