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CHEBI:149634 - dehydroemetine

Default Structure
ChEBI IDCHEBI:149634
ChEBI Namedehydroemetine
Stars
DefinitionA pyridoisoquinoline which was developed in response to the cardiovascular toxicity associated with emetine and results from the dehydrogenation of the heterotricylic ring of emetine. It is an antiprotozoal agent and displays antimalarial, antiamoebic, and antileishmanial properties.
Secondary ChEBI IDCHEBI:4363
Last Modified1 May 2020
SubmitterPP
DownloadsMolfile
FormulaC29H38N2O4
Net Charge0
Average Mass478.633
Monoisotopic Mass478.28316
SMILES[H][C@@]12CC(C[C@H]3NCCc4cc(OC)c(OC)cc43)=C(CC)CN1CCc1cc(OC)c(OC)cc12
InChIInChI=1S/C29H38N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,24-25,30H,6-12,17H2,1-5H3/t24-,25+/m1/s1
InChIKeyXXLZPUYGHQWHRN-RPBOFIJWSA-N
Wikipedia
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.
antiprotozoal drug  Any antimicrobial drug which is used to treat or prevent protozoal infections.
antimalarial  A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
Applications:
antileishmanial agent  An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania.
antiprotozoal drug  Any antimicrobial drug which is used to treat or prevent protozoal infections.
antimalarial  A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
ChEBI Ontology
Outgoing Relation(s)
dehydroemetine (CHEBI:149634) has parent hydride emetan (CHEBI:36380)
dehydroemetine (CHEBI:149634) has role antileishmanial agent (CHEBI:70868)
dehydroemetine (CHEBI:149634) has role antimalarial (CHEBI:38068)
dehydroemetine (CHEBI:149634) has role antiprotozoal drug (CHEBI:35820)
dehydroemetine (CHEBI:149634) is a aromatic ether (CHEBI:35618)
dehydroemetine (CHEBI:149634) is a isoquinolines (CHEBI:24922)
dehydroemetine (CHEBI:149634) is a pyridoisoquinoline (CHEBI:61692)
IUPAC Name 
6',7',10,11-tetramethoxy-2,3-didehydroemetan
INNs  Source
dehidroemetinaWHO MedNet
dehydroemetineWHO MedNet
déhydroémétineWHO MedNet
dehydroemetinumWHO MedNet
Synonyms  Source
(−)-2,3-dehydroemetineChemIDplus
2,3-didehydro-6',7',10,11-tetramethoxyemetanChemIDplus
2,3-didehydroemetineChemIDplus
2-dehydroemetineChemIDplus
BT 436ChemIDplus
(−)-R,S-dehydroemetineChEBI
Brand Names  Source
DametinChEBI
MebadinKEGG DRUG
MebadineChEBI
Manual XrefsDatabases
3129DrugCentral
C07996KEGG COMPOUND
D00828KEGG DRUG
DB13865DrugBank
DehydroemetineWikipedia
Registry NumbersSources
CAS:4914-30-1ChemIDplus
Citations