ceratamine A (CHEBI:65608)

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ChEBI Name	ceratamine A

ChEBI ID	CHEBI:65608

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, a methyl group at position 6 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

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Formula

C17H16Br2N4O2

Net Charge

Average Mass

468.14300

Monoisotopic Mass

465.96400

InChI

InChI=1S/C17H16Br2N4O2/c1-20-17-21-13-4-5-23(2)16(24)10(14(13)22-17)6-9-7-11(18)15(25-3)12(19)8-9/h4-5,7-8H,6H2,1-3H3,(H,20,22)

InChIKey

HAIJSTYZBPUVSG-UHFFFAOYSA-N

SMILES

CNc1nc2ccn(C)c(=O)c(Cc3cc(Br)c(OC)c(Br)c3)c2n1

Metabolite of Species	Details
Pseudoceratina (NCBI:txid283601)	See: PubMed

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

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 A (CHEBI:65608) has role antimitotic (CHEBI:64911) ceratamine A (CHEBI:65608) has role metabolite (CHEBI:25212) ceratamine A (CHEBI:65608) is a alkaloid (CHEBI:22315) ceratamine A (CHEBI:65608) is a aromatic ether (CHEBI:35618) ceratamine A (CHEBI:65608) is a cyclic ketone (CHEBI:3992) ceratamine A (CHEBI:65608) is a organic heterobicyclic compound (CHEBI:27171) ceratamine A (CHEBI:65608) is a organobromine compound (CHEBI:37141) ceratamine A (CHEBI:65608) is a secondary amino compound (CHEBI:50995) ceratamine A (CHEBI:65608) is a tertiary amine (CHEBI:32876)

IUPAC Name

4-(3,5-dibromo-4-methoxybenzyl)-6-methyl-2-(methylamino)imidazo[4,5-d]azepin-5(6H)-one

Registry Number	Type	Source
9655937	Reaxys Registry Number	Reaxys

Citation	Type	Source
14627391	PubMed citation	Europe PMC

Last Modified

02 November 2012