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CHEBI:65609 - ceratamine B

ChEBI IDCHEBI:65609
ChEBI Nameceratamine B
Stars
DefinitionAn organic heterobicyclic compound, which is imidazo[4,5-d]azepin-5(6H)-one substituted by a 3,5-dibromo-4-methoxybenzyl group at position 4 and a methylamino group at position 2. It is an antimitotic alkaloid isolated from the marine sponge Pseudoceratina.
Last Modified3 September 2012
DownloadsMolfile
FormulaC16H14Br2N4O2
Net Charge0
Average Mass454.122
Monoisotopic Mass451.94835
SMILESCNc1nc2ccnc(=O)c(Cc3cc(Br)c(OC)c(Br)c3)c-2n1
InChIInChI=1S/C16H14Br2N4O2/c1-19-16-21-12-3-4-20-15(23)9(13(12)22-16)5-8-6-10(17)14(24-2)11(18)7-8/h3-4,6-7H,5H2,1-2H3,(H,20,23)(H,19,21,22)
InChIKeyUCJCVNFPNDGXHS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pseudoceratina (ncbitaxon:283601) - PubMed (14627391)
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antimitotic  Any compound that inhibits cell division (mitosis).
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
ceratamine B (CHEBI:65609) has role antimitotic (CHEBI:64911)
ceratamine B (CHEBI:65609) has role metabolite (CHEBI:25212)
ceratamine B (CHEBI:65609) is a alkaloid (CHEBI:22315)
ceratamine B (CHEBI:65609) is a organic heterobicyclic compound (CHEBI:27171)
ceratamine B (CHEBI:65609) is a organobromine compound (CHEBI:37141)
IUPAC Name 
4-(3,5-dibromo-4-methoxybenzyl)-2-(methylamino)imidazo[4,5-d]azepin-5(6H)-one
Manual XrefsDatabases
10190117ChemSpider
Registry NumbersSources
Reaxys:9656135Reaxys
Citations