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CHEBI:65475 - BE-54238A

Default Structure
ChEBI IDCHEBI:65475
ChEBI NameBE-54238A
Stars
DefinitionAn organic heteropentacyclic compound that is isolated from Streptomyces sp. A54238. It exhibits inhibitory efficacy against the growth of human tumour cells.
Last Modified7 November 2013
DownloadsMolfile
FormulaC22H23NO6
Net Charge0
Average Mass397.427
Monoisotopic Mass397.15254
SMILESCC1OC(CC(=O)O)Cc2c1c(O)c1c3c(c4n(c23)C(C(C)O)CC4)C=CC1=O
InChIInChI=1S/C22H23NO6/c1-9(24)14-4-5-15-12-3-6-16(25)20-19(12)21(23(14)15)13-7-11(8-17(26)27)29-10(2)18(13)22(20)28/h3,6,9-11,14,24,28H,4-5,7-8H2,1-2H3,(H,26,27)
InChIKeyAWMWNWIBOOYESP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces sp. (ncbitaxon:1931) - PubMed (10724004) Strain: A54238
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
BE-54238A (CHEBI:65475) has role antimicrobial agent (CHEBI:33281)
BE-54238A (CHEBI:65475) has role antineoplastic agent (CHEBI:35610)
BE-54238A (CHEBI:65475) has role metabolite (CHEBI:25212)
BE-54238A (CHEBI:65475) is a aromatic ketone (CHEBI:76224)
BE-54238A (CHEBI:65475) is a cyclic ether (CHEBI:37407)
BE-54238A (CHEBI:65475) is a enone (CHEBI:51689)
BE-54238A (CHEBI:65475) is a organic heteropentacyclic compound (CHEBI:38164)
BE-54238A (CHEBI:65475) is a organonitrogen heterocyclic compound (CHEBI:38101)
BE-54238A (CHEBI:65475) is a oxo monocarboxylic acid (CHEBI:35871)
BE-54238A (CHEBI:65475) is a phenols (CHEBI:33853)
BE-54238A (CHEBI:65475) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
[7-hydroxy-1-(1-hydroxyethyl)-8-methyl-6-oxo-1,2,3,8,10,11-hexahydro-6H-benzo[cd]pyrano[3,4-g]pyrrolo[1,2-a]indol-10-yl]acetic acid
Registry NumbersSources
Reaxys:8519118Reaxys
Citations