loading...| Preferred Name | emetine | |
| Synonyms |
methyl cephaeline cephaline-O-methyl ether cephaeline methyl ether Emetan Emetin 6',7',10,11-tetramethoxyemetan 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. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_4781 |
|
| alternative term |
methyl cephaeline cephaline-O-methyl ether cephaeline methyl ether Emetan Emetin 6',7',10,11-tetramethoxyemetan Emetine |
|
| charge |
0 |
|
| 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 Beilstein:100834 PMID:31533472 DrugBank:DB13393 KNApSAcK:C00001849 PMID:17094176 Beilstein:6253162 MetaCyc:CPD-14817 PMID:19227966 PMID:16109351 PMID:14119536 |
|
| formula |
C29H40N2O4 |
|
| has exact synonym |
6',7',10,11-tetramethoxyemetan Emetine |
|
| has functional parent | ||
| has parent hydride | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_76924 http://purl.obolibrary.org/obo/CHEBI_35441 http://purl.obolibrary.org/obo/CHEBI_35820 http://purl.obolibrary.org/obo/CHEBI_149553 http://purl.obolibrary.org/obo/CHEBI_149552 http://purl.obolibrary.org/obo/CHEBI_48001 http://purl.obolibrary.org/obo/CHEBI_88230 http://purl.obolibrary.org/obo/CHEBI_171664 http://purl.obolibrary.org/obo/CHEBI_77035 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
methyl cephaeline cephaline-O-methyl ether cephaeline methyl ether Emetan Emetin |
|
| id |
CHEBI:4781 |
|
| imported from | ||
| 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 |
|
| inchikey |
AUVVAXYIELKVAI-CKBKHPSWSA-N |
|
| is conjugate base of | ||
| label |
emetine |
|
| mass |
480.63898 |
|
| monoisotopicmass |
480.29881 |
|
| notation |
CHEBI:4781 |
|
| prefLabel |
emetine |
|
| 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 |
|
| textual 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. |
|
| subClassOf |