CHEBI:141382 - ekatetrone

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ChEBI Name ekatetrone ChEBI ID CHEBI:141382 Definition An organic heterotetracyclic compound that is 1,8-dihydroxy-9,10-anthraquinone which is substituted at position 2 and 3 by 3-amino-1-hydroxy-3-oxopropyl and carboxymethyl groups, respectively, in which the hydroxy group β- to the carboxamide has undergone formal condensation with the carboxy group to give the corresponding δ-lactone. Isolated from various strains of Kitasatospora aureofaciens (Streptomyces aureofaciens), it inhibits the growth of Ehrlich ascites carcinoma in vitro. Stars This entity has been manually annotated by the ChEBI Team. Submitter R. Stephan Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C19H13NO7 Net Charge 0 Average Mass 367.310 Monoisotopic Mass 367.06920 InChI InChI=1S/C19H13NO7/c20-12(22)6-11-14-7(5-13(23)27-11)4-9-16(18(14)25)19(26)15-8(17(9)24)2-1-3-10(15)21/h1-4,11,21,25H,5-6H2,(H2,20,22) InChIKey QZENCFIHIPLZMU-UHFFFAOYSA-N SMILES C=1C2=C(C(=CC1)O)C(C3=C(C2=O)C=C4C(=C3O)C(OC(C4)=O)CC(N)=O)=O Metabolite of Species Details Streptomyces aureofaciens (NCBI:txid1894) of strain various See: PubMed Roles Classification Biological Role(s): bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. Application(s): antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. View more via ChEBI Ontology ChEBI Ontology Outgoing ekatetrone (CHEBI:141382) has role antineoplastic agent (CHEBI:35610) ekatetrone (CHEBI:141382) has role bacterial metabolite (CHEBI:76969) ekatetrone (CHEBI:141382) is a δ-lactone (CHEBI:18946) ekatetrone (CHEBI:141382) is a anthraquinone (CHEBI:22580) ekatetrone (CHEBI:141382) is a organic heterotetracyclic compound (CHEBI:38163) ekatetrone (CHEBI:141382) is a phenols (CHEBI:33853) ekatetrone (CHEBI:141382) is a primary carboxamide (CHEBI:140324) IUPAC Name (+)-2-(10,12-dihydroxy-3,6,11-trioxo-3,4,6,11-tetrahydro-1H-naphtho[2,3-g]isochromen-1-yl)acetamide Synonyms Sources (+)-3,4,6,11-tetrahydro-10,12-dihydroxy-3,6,11-trioxo-1H-anthra[2,3-c]pyran-1-acetamide ChEBI (+)-ekatetrone ChEBI 1,8-dihydroxy-2-(1'-hydroxy-2'-carbamoyl)ethyl-9,10-anthraquinone-3-acetic acid lactone ChEBI ekatetron ChEBI Manual Xref Database C00018198 KNApSAcK View more database links Registry Number Type Source 12794-19-3 CAS Registry Number ChEBI Citations Types Sources 101501 PubMed citation Europe PMC 101502 PubMed citation SUBMITTER 32772313 PubMed citation Europe PMC Last Modified 29 March 2023