EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:65474 - BE-24566B

ChEBI IDCHEBI:65474
ChEBI NameBE-24566B
Stars
DefinitionAn organic heterohexacyclic compound that is 6,7,9,16-tetrahydro-14H-6,16-epoxyanthra[2,3-e]benzo[b]oxocin-14-one substituted by hydroxy groups at positions 3, 11, 13 and 15, methyl groups at positions 1 and 4 and geminal methyl groups at position 9 respectively. It is isolated from the fermentation broth of Streptomyces violaceusniger and exhibits moderate antibacterial activity.
Last Modified20 November 2012
DownloadsMolfile
FormulaC27H24O7
Net Charge0
Average Mass460.482
Monoisotopic Mass460.15220
SMILESCc1cc(O)cc2c1C1OC(C)(Cc3cc4c(c(O)c31)C(=O)c1c(O)cc(O)cc1C4(C)C)O2
InChIInChI=1S/C27H24O7/c1-11-5-13(28)9-18-19(11)25-20-12(10-27(4,33-18)34-25)6-15-22(23(20)31)24(32)21-16(26(15,2)3)7-14(29)8-17(21)30/h5-9,25,28-31H,10H2,1-4H3
InChIKeyMDUGEFRGUDVHQH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces violaceusniger (ncbitaxon:68280) - PubMed (8557611)
Roles Classification
Biological Roles:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
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)
BE-24566B (CHEBI:65474) has role antibacterial agent (CHEBI:33282)
BE-24566B (CHEBI:65474) has role antimicrobial agent (CHEBI:33281)
BE-24566B (CHEBI:65474) has role metabolite (CHEBI:25212)
BE-24566B (CHEBI:65474) is a bridged compound (CHEBI:35990)
BE-24566B (CHEBI:65474) is a cyclic ketone (CHEBI:3992)
BE-24566B (CHEBI:65474) is a organic heterohexacyclic compound (CHEBI:51914)
BE-24566B (CHEBI:65474) is a oxacycle (CHEBI:38104)
BE-24566B (CHEBI:65474) is a polyphenol (CHEBI:26195)
IUPAC Name 
3,11,13,15-tetrahydroxy-1,6,9,9-tetramethyl-6,7,9,16-tetrahydro-14H-6,16-epoxyanthra[2,3-e]benzo[b]oxocin-14-one
Registry NumbersSources
Reaxys:15840383Reaxys
Citations