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CHEBI:65740 - 7'-O-demethylisocephaeline

ChEBI IDCHEBI:65740
ChEBI Name7'-O-demethylisocephaeline
Stars
ASCII Name7'-O-demethylisocephaeline
DefinitionA pyridoisoquinoline consisting of (1'β)-emetan substituted by hydroxy groups at positions 6' and 7' and methoxy groups at positions 10 and 11. It is isolated from Psychotria klugii and exhibits antileishmanial activity.
Last Modified2 January 2013
DownloadsMolfile
FormulaC27H36N2O4
Net Charge0
Average Mass452.595
Monoisotopic Mass452.26751
SMILES[H][C@]1(C[C@]2([H])NCCc3cc(O)c(O)cc32)C[C@@]2([H])c3cc(OC)c(OC)cc3CCN2C[C@@H]1CC
InChIInChI=1S/C27H36N2O4/c1-4-16-15-29-8-6-18-12-26(32-2)27(33-3)14-21(18)23(29)10-19(16)9-22-20-13-25(31)24(30)11-17(20)5-7-28-22/h11-14,16,19,22-23,28,30-31H,4-10,15H2,1-3H3/t16-,19-,22-,23-/m0/s1
InChIKeyHGQNZTBYUKKJLH-CQOCVSQPSA-N
Species of MetaboliteComponentSourceComments
Psychotria klugii (IPNI:212953-2) whole plant (BTO:0001461) PubMed (12880315)
Roles Classification
Biological Roles:
antileishmanial agent  An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania.
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.
Application:
antileishmanial agent  An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania.
ChEBI Ontology
Outgoing Relation(s)
7'-O-demethylisocephaeline (CHEBI:65740) has role antileishmanial agent (CHEBI:70868)
7'-O-demethylisocephaeline (CHEBI:65740) has role metabolite (CHEBI:25212)
7'-O-demethylisocephaeline (CHEBI:65740) is a aromatic ether (CHEBI:35618)
7'-O-demethylisocephaeline (CHEBI:65740) is a isoquinoline alkaloid (CHEBI:24921)
7'-O-demethylisocephaeline (CHEBI:65740) is a isoquinolines (CHEBI:24922)
7'-O-demethylisocephaeline (CHEBI:65740) is a polyphenol (CHEBI:26195)
7'-O-demethylisocephaeline (CHEBI:65740) is a pyridoisoquinoline (CHEBI:61692)
IUPAC Name 
(1'β)-10,11-dimethoxyemetan-6',7'-diol
Manual XrefsDatabases
9060170ChemSpider
Registry NumbersSources
Reaxys:9674985Reaxys
Citations