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CHEBI:84370 - cladoniamide E

ChEBI IDCHEBI:84370
ChEBI Namecladoniamide E
Stars
DefinitionAn organic heteropentacyclic compound that is 7,12-dihydro-6H-pyrido[1,2-a:3,4-b']diindole substituted by chloro groups at positions 2 and 9, a hydroxy group and an N-methyl carbamyl group at position 6, a methoxy group at position 13, and an oxo group at position 7 (the 6R stereoisomer). It is isolated from the culture broth of Streptomyces uncialis.
Last Modified7 March 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC21H15Cl2N3O4
Net Charge0
Average Mass444.274
Monoisotopic Mass443.04396
SMILESCNC(=O)[C@]1(O)C(=O)c2c(nc3ccc(Cl)cc23)-c2c(OC)c3cc(Cl)ccc3n21
InChIInChI=1S/C21H15Cl2N3O4/c1-24-20(28)21(29)19(27)15-11-7-9(22)3-5-13(11)25-16(15)17-18(30-2)12-8-10(23)4-6-14(12)26(17)21/h3-8,25,29H,1-2H3,(H,24,28)/t21-/m1/s1
InChIKeyYOJVEXXBEGGPCU-OAQYLSRUSA-N
Species of MetaboliteComponentSourceComments
Streptomyces uncialis (ncbitaxon:1048205) - PubMed (18646774)
Roles Classification
Biological Roles:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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)
cladoniamide E (CHEBI:84370) is a cladoniamide (CHEBI:83956)
cladoniamide E (CHEBI:84370) is a organic heteropentacyclic compound (CHEBI:38164)
cladoniamide E (CHEBI:84370) is a organochlorine compound (CHEBI:36683)
cladoniamide E (CHEBI:84370) is a secondary carboxamide (CHEBI:140325)
cladoniamide E (CHEBI:84370) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(6R)-2,9-dichloro-6-hydroxy-13-methoxy-N-methyl-7-oxo-7,12-dihydro-6H-pyrido[1,2-a:3,4-b']diindole-6-carboxamide
Registry NumbersSources
Reaxys:19021253Reaxys
Citations