CHEBI:66841 - 7-oxohernangerine

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ChEBI Name 7-oxohernangerine
ChEBI ID CHEBI:66841
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C18H11NO5
Net Charge 0
Average Mass 321.28360
Monoisotopic Mass 321.06372
InChI InChI=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
InChIKey IVWNIIWOWTWWKH-UHFFFAOYSA-N
SMILES COc1c(O)ccc2C(=O)c3nccc4cc5OCOc5c(-c12)c34
Metabolite of Species Details
Hernandia nymphaeifolia (NCBI:txid121082) Found in stem (BTO:0001300). Previous component: stem bark; See: DOI
Lindera chunii (NCBI:txid344093) Found in root (BTO:0001188). See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Number Type Source
9286227 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
12237535 PubMed citation Europe PMC
Last Modified
12 August 2016