CHEBI:78373 - chelerythrine

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ChEBI Name chelerythrine
ChEBI ID CHEBI:78373
Definition A benzophenanthridine alkaloid isolated from the root of Zanthoxylum simulans, Chelidonium majus L., and other Papaveraceae.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Secondary ChEBI IDs CHEBI:31388
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Formula C21H18NO4
Net Charge +1
Average Mass 348.37140
Monoisotopic Mass 348.124
InChI InChI=1S/C21H18NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-10H,11H2,1-3H3/q+1
InChIKey LLEJIEBFSOEYIV-UHFFFAOYSA-N
SMILES COc1ccc2c(c[n+](C)c3c4cc5OCOc5cc4ccc23)c1OC
Roles Classification
Biological Role(s): EC 2.7.11.13 (protein kinase C) inhibitor
An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of protein kinase C (EC 2.7.11.13).
antibacterial agent
A substance that kills or slows the growth of bacteria.
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): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing chelerythrine (CHEBI:78373) has role antibacterial agent (CHEBI:33282)
chelerythrine (CHEBI:78373) has role antineoplastic agent (CHEBI:35610)
chelerythrine (CHEBI:78373) has role EC 2.7.11.13 (protein kinase C) inhibitor (CHEBI:37700)
chelerythrine (CHEBI:78373) is a benzophenanthridine alkaloid (CHEBI:38517)
chelerythrine (CHEBI:78373) is a organic cation (CHEBI:25697)
IUPAC Name
1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium
Synonyms Sources
1,2-Dimethoxy-12-methyl(1,3)benzodioxolo(5,6-c)phenanthridinium ChemIDplus
chelerythrine UniProt
Manual Xrefs Databases
C00024634 KNApSAcK
C00024660 KNApSAcK
C12227 KEGG COMPOUND
Chelerythrine Wikipedia
CPD-16782 MetaCyc
CTI PDBeChem
LSM-1187 LINCS
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Registry Numbers Types Sources
34316-15-9 CAS Registry Number KEGG COMPOUND
34316-15-9 CAS Registry Number ChemIDplus
3915260 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
23390024 PubMed citation Europe PMC
23900672 PubMed citation Europe PMC
24295957 PubMed citation Europe PMC
24300194 PubMed citation Europe PMC
24824737 PubMed citation Europe PMC
24928629 PubMed citation Europe PMC
24948079 PubMed citation Europe PMC
25010289 PubMed citation Europe PMC
Last Modified
24 February 2016