CHEBI:3331 - Calpurnine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Calpurnine
ChEBI ID CHEBI:3331
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H27N3O3
Net Charge 0
Average Mass 357.447
Monoisotopic Mass 357.20524
InChI InChI=1S/C20H27N3O3/c24-19-5-1-4-17-13-9-14(12-23(17)19)18-10-15(6-8-22(18)11-13)26-20(25)16-3-2-7-21-16/h2-3,7,13-15,17-18,21H,1,4-6,8-12H2/t13?,14?,15-,17+,18-/m0/s1
InChIKey YFRYJFMFQOBOSY-CMQLYVPTSA-N
SMILES O=C(O[C@H]1CCN2C[C@H]3C[C@@H](CN4[C@@H]3CCCC4=O)[C@@H]2C1)c1ccc[nH]1
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Calpurnine (CHEBI:3331) is a quinolizidine alkaloid (CHEBI:26515)
Synonyms Sources
Calpurnine KEGG COMPOUND
Hoe 933 KEGG COMPOUND
Manual Xrefs Databases
C00002214 KNApSAcK
C10757 KEGG COMPOUND
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Registry Number Type Source
6874-80-2 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014