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CHEBI:66000 - hamacanthin A

ChEBI IDCHEBI:66000
ChEBI Namehamacanthin A
Stars
DefinitionA member of the class of pyrazinones that is 5,6-dihydropyrazin-2(1H)-one substituted at positions 3 and 6 by 6-bromo-1H-indol-3-yl groups. It is an antifungal drug isolated from deep water marine sponge Hamacantha sp.
Last Modified26 January 2021
DownloadsMolfile
FormulaC20H14Br2N4O
Net Charge0
Average Mass486.167
Monoisotopic Mass483.95344
SMILESO=C1NCC(c2cnc3cc(Br)ccc23)N=C1c1cnc2cc(Br)ccc12
InChIInChI=1S/C20H14Br2N4O/c21-10-1-3-12-14(7-23-16(12)5-10)18-9-25-20(27)19(26-18)15-8-24-17-6-11(22)2-4-13(15)17/h1-8,18,23-24H,9H2,(H,25,27)
InChIKeyMYXLDFYXMNSXDR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Hamacantha (WORMS:131902) - PubMed (7807127)
Roles Classification
Biological Roles:
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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)
hamacanthin A (CHEBI:66000) has role antifungal agent (CHEBI:35718)
hamacanthin A (CHEBI:66000) has role metabolite (CHEBI:25212)
hamacanthin A (CHEBI:66000) is a indole alkaloid (CHEBI:38958)
hamacanthin A (CHEBI:66000) is a lactam (CHEBI:24995)
hamacanthin A (CHEBI:66000) is a organobromine compound (CHEBI:37141)
hamacanthin A (CHEBI:66000) is a pyrazinone (CHEBI:167376)
Incoming Relation(s)
hamacanthin B (CHEBI:66001) is a hamacanthin A (CHEBI:66000)
IUPAC Name 
3,6-bis(6-bromo-1H-indol-3-yl)-5,6-dihydropyrazin-2(1H)-one
Registry NumbersSources
CAS:160098-92-0ChemIDplus
Citations