hernandonine (CHEBI:66011)

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ChEBI Name	hernandonine

ChEBI ID	CHEBI:66011

Definition	An oxoaporphine alkaloid isolated from Hernandia ovigera and Lindera chunii and has been shown exhibit inhibitory activity against HIV-1 integrase .

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C18H9NO5

Net Charge

Average Mass

319.26780

Monoisotopic Mass

319.04807

InChI

InChI=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

InChIKey

QHFWZNALDDSHFJ-UHFFFAOYSA-N

SMILES

O=C1c2ccc3OCOc3c2-c2c3OCOc3cc3ccnc1c23

Metabolite of Species	Details
Hernandia ovigera (NCBI:txid13561)	Found in trunk bark (BTO:0001494). See: DOI
Lindera chunii (NCBI:txid344093)	Found in root (BTO:0001188). See: PubMed

Roles Classification
Biological Role(s):	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. (via alkaloid )

ChEBI Ontology
Outgoing	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 Number	Type	Source
575709	Reaxys Registry Number	Reaxys

Last Modified

12 August 2016