CHEBI:3433 - carpaine

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ChEBI Name carpaine
ChEBI ID CHEBI:3433
Definition An alkaloid that forms a major component of the papaya leaves and has been shown to exhibit cardiovascular effects.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C28H50N2O4
Net Charge 0
Average Mass 478.70760
Monoisotopic Mass 478.377
InChI InChI=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
InChIKey AMSCMASJCYVAIF-QCVMBYIASA-N
SMILES C[C@@H]1N[C@H]2CC[C@@H]1OC(=O)CCCCCCC[C@@H]1CC[C@H](OC(=O)CCCCCCC2)[C@H](C)N1
Roles Classification
Biological Role(s): 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.
(via alkaloid )
Application(s): cardiovascular drug
A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 macrocyclic lactone (CHEBI:63944)
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
(+)-carpaine ChEBI
Manual Xrefs Databases
C00002026 KNApSAcK
C10135 KEGG COMPOUND
Carpaine Wikipedia
HMDB0030272 HMDB
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Registry Numbers Types Sources
3463-92-1 CAS Registry Number ChemIDplus
59348 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
14535723 PubMed citation Europe PMC
15366832 PubMed citation Europe PMC
22707832 PubMed citation Europe PMC
5843214 PubMed citation Europe PMC
734216 PubMed citation Europe PMC
Last Modified
28 July 2014