EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:3433 - carpaine

ChEBI IDCHEBI:3433
ChEBI Namecarpaine
Stars
DefinitionAn alkaloid that forms a major component of the papaya leaves and has been shown to exhibit cardiovascular effects.
Last Modified2 December 2019
DownloadsMolfile
FormulaC28H50N2O4
Net Charge0
Average Mass478.718
Monoisotopic Mass478.37706
SMILESC[C@@H]1N[C@@H]2CCCCCCCC(=O)O[C@H]3CC[C@@H](CCCCCCCC(=O)O[C@H]1CC2)N[C@H]3C
InChIInChI=1S/C28H50N2O4/c1-21-25-19-17-23(29-21)13-9-5-3-8-12-16-28(32)34-26-20-18-24(30-22(26)2)14-10-6-4-7-11-15-27(31)33-25/h21-26,29-30H,3-20H2,1-2H3/t21-,22-,23+,24+,25-,26-/m0/s1
InChIKeyAMSCMASJCYVAIF-QCVMBYIASA-N
Wikipedia
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
cardiovascular drug  A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.
ChEBI Ontology
Outgoing Relation(s)
carpaine (CHEBI:3433) has role cardiovascular drug (CHEBI:35554)
carpaine (CHEBI:3433) has role plant metabolite (CHEBI:76924)
carpaine (CHEBI:3433) is a alkaloid (CHEBI:22315)
carpaine (CHEBI:3433) is a macrodiolide (CHEBI:145556)
IUPAC Name 
(1S,11R,13S,14S,24R,26S)-13,26-dimethyl-2,15-dioxa-12,25-diazatricyclo[22.2.2.211,14]triacontane-3,16-dione
Synonym  Source
(+)-carpaineChEBI
Manual XrefsDatabases
C10135KEGG COMPOUND
CarpaineWikipedia
HMDB0030272HMDB
C00002026KNApSAcK
Registry NumbersSources
Reaxys:59348Reaxys
CAS:3463-92-1KEGG COMPOUND
CAS:3463-92-1ChemIDplus
Citations