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The Drug Ontology
Last uploaded:
December 20, 2024
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| Id | http://purl.obolibrary.org/obo/CHEBI_4781
http://purl.obolibrary.org/obo/CHEBI_4781
|
|---|---|
| Preferred Name | emetine |
| Definitions |
A pyridoisoquinoline comprising emetam having methoxy substituents at the 6'-, 7'-, 10- and 11-positions. It is an antiprotozoal agent and emetic. It inhibits SARS-CoV2, Zika and Ebola virus replication and displays antimalarial, antineoplastic and antiamoebic properties.
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| Synonyms |
methyl cephaeline
cephaline-O-methyl ether
cephaeline methyl ether
Emetan
Emetin
6',7',10,11-tetramethoxyemetan
Emetine
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| definition | A pyridoisoquinoline comprising emetam having methoxy substituents at the 6'-, 7'-, 10- and 11-positions. It is an antiprotozoal agent and emetic. It inhibits SARS-CoV2, Zika and Ebola virus replication and displays antimalarial, antineoplastic and antiamoebic properties. |
|---|---|
| label |
emetine
|
| prefLabel |
emetine
|
| database_cross_reference |
PMID:29872540
CAS:483-18-1
LINCS:LSM-2041
PMID:31734270
Drug_Central:1001
Reaxys:100834
PMID:32251767
PMID:31436297
KEGG:C09421
PMID:31964796
PMID:31775307
Wikipedia:Emetine
PMID:32245264
PMID:31533472
DrugBank:DB13393
KNApSAcK:C00001849
PMID:17094176
Beilstein:6253162
MetaCyc:CPD-14817
PMID:19227966
PMID:16109351
PMID:14119536
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|
| notation |
CHEBI:4781
|
| in_subset | |
| inchi |
InChI=1S/C29H40N2O4/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/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24+,25-/m0/s1
|
| has_related_synonym |
methyl cephaeline
cephaline-O-methyl ether
cephaeline methyl ether
Emetan
Emetin
|
| id |
CHEBI:4781
|
| charge |
0
|
| has_obo_namespace |
chebi_ontology
|
| formula |
C29H40N2O4
|
| has parent hydride | |
| subClassOf | |
| is conjugate base of | |
| inchikey |
AUVVAXYIELKVAI-CKBKHPSWSA-N
|
| mass |
480.63898
|
| monoisotopicmass |
480.29881
|
| has functional parent | |
| type | |
| smiles |
[H][C@]1(C[C@@]2([H])NCCc3cc(OC)c(OC)cc23)C[C@]2([H])N(CCc3cc(OC)c(OC)cc23)C[C@@H]1CC
|
| has_RxCUI |
3820
|
| has role |
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|
| has_exact_synonym |
6',7',10,11-tetramethoxyemetan
Emetine
|
| has characteristic |
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|
| alternative label |
methyl cephaeline
cephaline-O-methyl ether
cephaeline methyl ether
Emetan
Emetin
6',7',10,11-tetramethoxyemetan
Emetine
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|
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