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CHEBI:65407 - ancistrotanzanine B

Default Structure
ChEBI IDCHEBI:65407
ChEBI Nameancistrotanzanine B
Stars
DefinitionAn isoquinoline alkaloid that is (3S)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinoline substituted by a 4,5-dimethoxy-7-methylnaphthalen-1-yl group at position 5. It is isolated from the leaves of Ancistrocladus tanzaniensis and exhibits antiplasmodial, antileishmanial and antitrypanocidal activities.
Last Modified23 November 2012
DownloadsMolfile
FormulaC26H29NO4
Net Charge0
Average Mass419.521
Monoisotopic Mass419.20966
SMILESCOc1cc(OC)c(-c2ccc(OC)c3c(OC)cc(C)cc23)c2c1C(C)=N[C@@H](C)C2
InChIInChI=1S/C26H29NO4/c1-14-10-18-17(8-9-20(28-4)26(18)21(11-14)29-5)25-19-12-15(2)27-16(3)24(19)22(30-6)13-23(25)31-7/h8-11,13,15H,12H2,1-7H3/t15-/m0/s1
InChIKeyMIMNIDIHOQDTFD-HNNXBMFYSA-N
Species of MetaboliteComponentSourceComments
Ancistrocladus tanzaniensis (ncbitaxon:714107) leaf (BTO:0000713) PubMed (14510589)
Roles Classification
Biological Roles:
antiplasmodial drug  An antiparasitic drug which is effective against Apicomplexan parasites in the genus Plasmodium. The genus contains over 200 species and includes those responsible for malaria.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antileishmanial agent  An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania.
trypanocidal drug  A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Applications:
antiplasmodial drug  An antiparasitic drug which is effective against Apicomplexan parasites in the genus Plasmodium. The genus contains over 200 species and includes those responsible for malaria.
antileishmanial agent  An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania.
trypanocidal drug  A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida.
ChEBI Ontology
Outgoing Relation(s)
ancistrotanzanine B (CHEBI:65407) has role antileishmanial agent (CHEBI:70868)
ancistrotanzanine B (CHEBI:65407) has role antiplasmodial drug (CHEBI:64915)
ancistrotanzanine B (CHEBI:65407) has role metabolite (CHEBI:25212)
ancistrotanzanine B (CHEBI:65407) has role trypanocidal drug (CHEBI:36335)
ancistrotanzanine B (CHEBI:65407) is a aromatic ether (CHEBI:35618)
ancistrotanzanine B (CHEBI:65407) is a biaryl (CHEBI:64459)
ancistrotanzanine B (CHEBI:65407) is a isoquinoline alkaloid (CHEBI:24921)
ancistrotanzanine B (CHEBI:65407) is a isoquinolines (CHEBI:24922)
ancistrotanzanine B (CHEBI:65407) is a methoxynaphthalene (CHEBI:48851)
ancistrotanzanine B (CHEBI:65407) is a methylnaphthalenes (CHEBI:25324)
IUPAC Name 
(3S)-5-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinoline
Manual XrefsDatabases
10208482ChemSpider
Registry NumbersSources
Reaxys:8729671Reaxys
Citations