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CHEBI:66011 - hernandonine

ChEBI IDCHEBI:66011
ChEBI Namehernandonine
Stars
DefinitionAn oxoaporphine alkaloid isolated from Hernandia ovigera and Lindera chunii and has been shown exhibit inhibitory activity against HIV-1 integrase .
Last Modified12 August 2016
DownloadsMolfile
FormulaC18H9NO5
Net Charge0
Average Mass319.272
Monoisotopic Mass319.04807
SMILESO=C1c2ccc3c(c2-c2c4c(cc5ccnc1c25)OCO4)OCO3
InChIInChI=1S/C18H9NO5/c20-16-9-1-2-10-17(23-6-21-10)13(9)14-12-8(3-4-19-15(12)16)5-11-18(14)24-7-22-11/h1-5H,6-7H2
InChIKeyQHFWZNALDDSHFJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Lindera chunii (ncbitaxon:344093) root (BTO:0001188) PubMed (12237535)
Hernandia ovigera (ncbitaxon:13561) trunk bark (BTO:0001494) DOI (10.1016/S0040-4039(01)98402-3)
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)
hernandonine (CHEBI:66011) has role HIV-1 integrase inhibitor (CHEBI:67268)
hernandonine (CHEBI:66011) has role metabolite (CHEBI:25212)
hernandonine (CHEBI:66011) is a cyclic ketone (CHEBI:3992)
hernandonine (CHEBI:66011) is a organic heterohexacyclic compound (CHEBI:51914)
hernandonine (CHEBI:66011) is a oxacycle (CHEBI:38104)
hernandonine (CHEBI:66011) is a oxoaporphine alkaloid (CHEBI:132998)
IUPAC Name 
11H-bis[1,3]benzodioxolo[6,5,4-de:4',5'-g]quinolin-11-one
Registry NumbersSources
Reaxys:575709Reaxys
Citations