ceratamine B (CHEBI:65609)

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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

Download	Molfile XML SDF

Formula

C16H14Br2N4O2

Net Charge

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).

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

Registry Number	Type	Source
9656135	Reaxys Registry Number	Reaxys

Citation	Type	Source
14627391	PubMed citation	Europe PMC

Last Modified

03 September 2012