CHEBI:65740 - 7'-O-demethylisocephaeline

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ChEBI Name 7'-O-demethylisocephaeline
ChEBI ID CHEBI:65740
ChEBI ASCII Name 7'-O-demethylisocephaeline
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H36N2O4
Net Charge 0
Average Mass 452.58570
Monoisotopic Mass 452.268
InChI InChI=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
InChIKey HGQNZTBYUKKJLH-CQOCVSQPSA-N
SMILES [H][C@]1(C[C@]2([H])NCCc3cc(O)c(O)cc23)C[C@]2([H])N(CCc3cc(OC)c(OC)cc23)C[C@@H]1CC
Metabolite of Species Details
Psychotria klugii (IPNI:212953-2) Found in whole plant (BTO:0001461). 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 )
antileishmanial agent
An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania.
Application(s): antileishmanial agent
An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Database Link Database
9060170 ChemSpider
View more database links
Registry Number Type Source
9674985 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
12880315 PubMed citation Europe PMC
Last Modified
02 January 2013