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CHEBI:31144 - 8-demethyltetracenomycin C

ChEBI IDCHEBI:31144
ChEBI Name8-demethyltetracenomycin C
Stars
DefinitionA member of the class of tetracenes that is tetracenomycin C in which the methoxy group at position 3 is replaced by a phenolic OH.
Last Modified6 February 2018
DownloadsMolfile
FormulaC22H18O11
Net Charge0
Average Mass458.375
Monoisotopic Mass458.08491
SMILESCOC(=O)c1c(O)cc2cc3c(c(O)c2c1C)C(=O)[C@]1(O)C(=O)C=C(OC)[C@@H](O)[C@]1(O)C3=O
InChIInChI=1S/C22H18O11/c1-7-13-8(5-10(23)14(7)20(29)33-3)4-9-15(16(13)25)19(28)21(30)12(24)6-11(32-2)18(27)22(21,31)17(9)26/h4-6,18,23,25,27,30-31H,1-3H3/t18-,21-,22-/m1/s1
InChIKeyDFURSAVCHZIKSU-STZQEDGTSA-N
Species of MetaboliteComponentSourceComments
Streptomyces glaucescens (ncbitaxon:1907) - PubMed (3460987)
Roles Classification
Biological Roles:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
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.
ChEBI Ontology
Outgoing Relation(s)
8-demethyltetracenomycin C (CHEBI:31144) has role bacterial metabolite (CHEBI:76969)
8-demethyltetracenomycin C (CHEBI:31144) is a enol ether (CHEBI:47985)
8-demethyltetracenomycin C (CHEBI:31144) is a enone (CHEBI:51689)
8-demethyltetracenomycin C (CHEBI:31144) is a methyl ester (CHEBI:25248)
8-demethyltetracenomycin C (CHEBI:31144) is a polyphenol (CHEBI:26195)
8-demethyltetracenomycin C (CHEBI:31144) is a tertiary α-hydroxy ketone (CHEBI:139592)
8-demethyltetracenomycin C (CHEBI:31144) is a tetracenomycin (CHEBI:48132)
8-demethyltetracenomycin C (CHEBI:31144) is a triol (CHEBI:27136)
IUPAC Name 
methyl (6aR,7S,10aR)-3,6a,7,10a,12-pentahydroxy-8-methoxy-1-methyl-6,10,11-trioxo-6,6a,7,10,10a,11-hexahydrotetracene-2-carboxylate
UniProt Name  Source
8-demethyltetracenomycin CUniProt
Manual XrefsDatabases
C12379KEGG COMPOUND
CPD-16642MetaCyc
Registry NumbersSources
Reaxys:8094719Reaxys
CAS:71135-22-3ChemIDplus
Citations