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CHEBI:66841 - 7-oxohernangerine

ChEBI IDCHEBI:66841
ChEBI Name7-oxohernangerine
Stars
DefinitionAn oxoaporphine alkaloid that is 7H-dibenzo[de,g]quinolin-7-one substituted by a methylenedioxy group across positions 1 and 2, a methoxy group at position 11 and a hydroxy group at position 10. Isolated from Hernandia nymphaeifolia and Lindera chunii, it exhibits activity against HIV-1 integrase.
Last Modified12 August 2016
DownloadsMolfile
FormulaC18H11NO5
Net Charge0
Average Mass321.288
Monoisotopic Mass321.06372
SMILESCOc1c(O)ccc2c1-c1c3c(cc4ccnc(c14)C2=O)OCO3
InChIInChI=1S/C18H11NO5/c1-22-17-10(20)3-2-9-13(17)14-12-8(4-5-19-15(12)16(9)21)6-11-18(14)24-7-23-11/h2-6,20H,7H2,1H3
InChIKeyIVWNIIWOWTWWKH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Hernandia nymphaeifolia (ncbitaxon:121082) stem (BTO:0001300) DOI (10.1021/np960034d) Previous component: stem bark;
Lindera chunii (ncbitaxon:344093) root (BTO:0001188) PubMed (12237535)
Roles Classification
Biological Roles:
HIV-1 integrase inhibitor  An inhibitor of HIV-1 integrase, an enzyme required for the integration of the genetic material of the retrovirus into the DNA of the infected cells.
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)
7-oxohernangerine (CHEBI:66841) has functional parent aporphine (CHEBI:35643)
7-oxohernangerine (CHEBI:66841) has role HIV-1 integrase inhibitor (CHEBI:67268)
7-oxohernangerine (CHEBI:66841) has role metabolite (CHEBI:25212)
7-oxohernangerine (CHEBI:66841) is a aromatic ether (CHEBI:35618)
7-oxohernangerine (CHEBI:66841) is a cyclic ketone (CHEBI:3992)
7-oxohernangerine (CHEBI:66841) is a organic heteropentacyclic compound (CHEBI:38164)
7-oxohernangerine (CHEBI:66841) is a oxacycle (CHEBI:38104)
7-oxohernangerine (CHEBI:66841) is a oxoaporphine alkaloid (CHEBI:132998)
7-oxohernangerine (CHEBI:66841) is a phenols (CHEBI:33853)
IUPAC Name 
11-hydroxy-12-methoxy-8H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinolin-8-one
Registry NumbersSources
Reaxys:9286227Reaxys
Citations