(-)-dibromophakellin (CHEBI:65762)

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ChEBI Name	(−)-dibromophakellin

ChEBI ID	CHEBI:65762

ChEBI ASCII Name	(-)-dibromophakellin

Definition	An alkaloid isolated from the marine sponge Phakellia flabellata and Acanthella costata. It acts as an α_2B adrenoceptor agonist.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C11H11Br2N5O

Net Charge

Average Mass

389.04600

Monoisotopic Mass

386.93304

InChI

InChI=1S/C11H11Br2N5O/c12-5-4-6-8(19)17-3-1-2-11(17)9(15-10(14)16-11)18(6)7(5)13/h4,9H,1-3H2,(H3,14,15,16)/t9-,11+/m0/s1

InChIKey

MKCFBJDWCJAOTN-GXSJLCMTSA-N

SMILES

[H][C@@]12NC(N)=N[C@@]11CCCN1C(=O)c1cc(Br)c(Br)n21

Roles Classification
Biological Role(s):	alpha-adrenergic agonist An agent that selectively binds to and activates alpha-adrenergic receptors. marine metabolite Any metabolite produced during a metabolic reaction in marine macro- and microorganisms. animal metabolite Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. (via alkaloid )

Application(s):	alpha-adrenergic agonist An agent that selectively binds to and activates alpha-adrenergic receptors.

ChEBI Ontology
Outgoing	(−)-dibromophakellin (CHEBI:65762) has role α-adrenergic agonist (CHEBI:35569) (−)-dibromophakellin (CHEBI:65762) has role animal metabolite (CHEBI:75767) (−)-dibromophakellin (CHEBI:65762) has role marine metabolite (CHEBI:76507) (−)-dibromophakellin (CHEBI:65762) is a alkaloid (CHEBI:22315) (−)-dibromophakellin (CHEBI:65762) is a guanidines (CHEBI:24436) (−)-dibromophakellin (CHEBI:65762) is a organobromine compound (CHEBI:37141)

IUPAC Name

(3aR,12aS)-2-amino-10,11-dibromo-1,5,6,12a-tetrahydro-4H,8H-imidazo[4,5-b]dipyrrolo[1,2-a:1',2'-d]pyrazin-8-one

Registry Number	Type	Source
8008418	Reaxys Registry Number	Reaxys

Last Modified

25 March 2015