CHEBI:28954 - fagaronine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name fagaronine
ChEBI ID CHEBI:28954
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:4968, CHEBI:24011
Supplier Information
Save molfile Download Molfile
Formula C21H20NO4
Net Charge +1
Average Mass 350.38784
Monoisotopic Mass 350.139
InChI InChI=1S/C21H19NO4/c1-22-11-13-8-19(25-3)20(26-4)9-15(13)14-6-5-12-7-17(23)18(24-2)10-16(12)21(14)22/h5-11H,1-4H3/p+1
InChIKey OOKZVPUCASIEBL-UHFFFAOYSA-O
SMILES COc1cc2c(ccc3c4cc(OC)c(OC)cc4c[n+](C)c23)cc1O
Roles Classification
Biological Role(s): mutagen
An agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution.
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 fagaronine (CHEBI:28954) has role mutagen (CHEBI:25435)
fagaronine (CHEBI:28954) is a benzophenanthridine alkaloid (CHEBI:38517)
IUPAC Name
2-hydroxy-3,8,9-trimethoxy-5-methylbenzo[c]phenanthridinium
Synonym Source
Fagaronine KEGG COMPOUND
Database Links Databases
C00001857 KNApSAcK
C09438 KEGG COMPOUND
View more database links
Registry Number Type Source
52259-65-1 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014