CHEBI:65609 - ceratamine B

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ChEBI Name ceratamine B
ChEBI ID CHEBI:65609
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB5268052, eMolecules:486062, eMolecules:30487811, Selleckchem:2-Methoxyestradiol(2ME2), ZINC000003818826
Download Molfile XML SDF
Formula C16H14Br2N4O2
Net Charge 0
Average Mass 454.11600
Monoisotopic Mass 451.94835
InChI InChI=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)
InChIKey UCJCVNFPNDGXHS-UHFFFAOYSA-N
SMILES CNc1nc2cc[nH]c(=O)c(Cc3cc(Br)c(OC)c(Br)c3)c2n1
Metabolite of Species Details
Pseudoceratina (NCBI:txid283601) See: PubMed
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 )
antimitotic
Any compound that inhibits cell division (mitosis).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
10190117 ChemSpider
View more database links
Registry Number Type Source
9656135 Reaxys Registry Number Reaxys
Citation Type Source
14627391 PubMed citation Europe PMC
Last Modified
03 September 2012