EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:65476 - BE-54238B

ChEBI IDCHEBI:65476
ChEBI NameBE-54238B
Stars
DefinitionAn organic heterohexacyclic compound that is isolated from Streptomyces sp. A54238. It exhibits inhibitory efficacy against the growth of human tumour cells.
Last Modified7 November 2013
DownloadsMolfile
FormulaC22H21NO6
Net Charge0
Average Mass395.411
Monoisotopic Mass395.13689
SMILESCC1OC2CC(=O)OC2c2c1c(O)c1c3c(c4n(c23)C(C(C)O)CC4)C=CC1=O
InChIInChI=1S/C22H21NO6/c1-8(24)11-4-5-12-10-3-6-13(25)18-17(10)20(23(11)12)19-16(21(18)27)9(2)28-14-7-15(26)29-22(14)19/h3,6,8-9,11,14,22,24,27H,4-5,7H2,1-2H3
InChIKeyGROPDRMIDADBEP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces sp. (ncbitaxon:1931) - PubMed (10724004) Strain: A54238
Roles Classification
Biological Roles:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
BE-54238B (CHEBI:65476) has role antimicrobial agent (CHEBI:33281)
BE-54238B (CHEBI:65476) has role antineoplastic agent (CHEBI:35610)
BE-54238B (CHEBI:65476) has role metabolite (CHEBI:25212)
BE-54238B (CHEBI:65476) is a aromatic ketone (CHEBI:76224)
BE-54238B (CHEBI:65476) is a cyclic ether (CHEBI:37407)
BE-54238B (CHEBI:65476) is a enone (CHEBI:51689)
BE-54238B (CHEBI:65476) is a organic heterohexacyclic compound (CHEBI:51914)
BE-54238B (CHEBI:65476) is a organonitrogen heterocyclic compound (CHEBI:38101)
BE-54238B (CHEBI:65476) is a phenols (CHEBI:33853)
BE-54238B (CHEBI:65476) is a secondary alcohol (CHEBI:35681)
BE-54238B (CHEBI:65476) is a γ-lactone (CHEBI:37581)
IUPAC Name 
7-hydroxy-1-(1-hydroxyethyl)-8-methyl-2,3,8,9a,10,12a-hexahydro-6H-benzo[cd]furo[2',3':5,6]pyrano[3,4-g]pyrrolo[1,2-a]indole-6,11(1H)-dione
Registry NumbersSources
Reaxys:8517555Reaxys
Citations