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CHEBI:66001 - hamacanthin B

ChEBI IDCHEBI:66001
ChEBI Namehamacanthin B
Stars
DefinitionAn optically active form of hamacanthin A having S-configuration. It is an antifungal drug isolated from deep water marine sponge Hamacantha sp.
Last Modified25 September 2012
DownloadsMolfile
FormulaC20H14Br2N4O
Net Charge0
Average Mass486.167
Monoisotopic Mass483.95344
SMILESO=C1NC[C@H](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)/t18-/m1/s1
InChIKeyMYXLDFYXMNSXDR-GOSISDBHSA-N
Species of MetaboliteComponentSourceComments
Hamacantha (WORMS:131902) - PubMed (7807127)
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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 B (CHEBI:66001) is a hamacanthin A (CHEBI:66000)
IUPAC Name 
(5S)-3,5-bis(6-bromo-1H-indol-3-yl)-5,6-dihydro-2(1H)-pyrazinone
Registry NumbersSources
Reaxys:9088915Reaxys
CAS:160098-93-1ChemIDplus
Citations