CHEBI:31144 - 8-demethyltetracenomycin C

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ChEBI Name 8-demethyltetracenomycin C
ChEBI ID CHEBI:31144
Definition A member of the class of tetracenes that is tetracenomycin C in which the methoxy group at position 3 is replaced by a phenolic OH.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C22H18O11
Net Charge 0
Average Mass 458.37170
Monoisotopic Mass 458.08491
InChI InChI=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
InChIKey DFURSAVCHZIKSU-STZQEDGTSA-N
SMILES COC(=O)c1c(O)cc2cc3C(=O)[C@@]4(O)[C@H](O)C(OC)=CC(=O)[C@@]4(O)C(=O)c3c(O)c2c1C
Metabolite of Species Details
Streptomyces glaucescens (NCBI:txid1907) See: PubMed
Roles Classification
Biological Role(s): 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.
(via tetracenomycin )
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via tetracenomycin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Synonym Source
8-demethyltetracenomycin C UniProt
Manual Xrefs Databases
C12379 KEGG COMPOUND
CPD-16642 MetaCyc
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Registry Numbers Types Sources
71135-22-3 CAS Registry Number ChemIDplus
8094719 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
12444703 PubMed citation Europe PMC
18310024 PubMed citation Europe PMC
3460987 PubMed citation Europe PMC
Last Modified
06 February 2018