loading...| Preferred Name |
quinine |
|
| Synonyms |
Quinine (-)-quinine chininum Chinin (9R)-6'-methoxy-8alpha-cinchonan-9-ol (8S,9R)-quinine quinine (R)-(6-methoxyquinolin-4-yl)((2S,4S,8R)-8-vinylquinuclidin-2-yl)methanol quinina (R)-(-)-quinine 6'-methoxycinchonidine (R)-[(1S,2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methanol chinine C20H24N2O2 |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_15854 |
|
| AHFScode |
92:02.00* 08:30.08 |
|
| altId |
CHEBI:569215 CHEBI:127176 CHEBI:26499 CHEBI:355947 CHEBI:602929 CHEBI:8723 CHEBI:15001 |
|
| ATCCode |
M09AA01 P01BC01 |
|
| blocks | ||
| CASRN |
130-95-0 |
|
| DBBrand |
coco-quinine chinin aflukin quinine dab chinine |
|
| DBname |
quinine |
|
| DBSynonym |
quinineanhydrous quinoline alkaloid 6'-methoxycinchonidine quinine, anhydrous 6'-methoxycinchonine quinine sulfate |
|
| Definition |
A cinchona alkaloid that is cinchonidine in which the hydrogen at the 6-position of the quinoline ring is substituted by methoxy. |
|
| has pharmacological target | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_51371 |
|
| InChI |
InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1 |
|
| InChIKey |
InChIKey=LOUPRKONTZGTKE-WZBLMQSHSA-N |
|
| induces |
http://purl.obolibrary.org/obo/dinto_2651 |
|
| inhibits |
http://purl.obolibrary.org/obo/dinto_0746 http://purl.obolibrary.org/obo/dinto_2814 http://purl.obolibrary.org/obo/dinto_2651 http://purl.obolibrary.org/obo/dinto_1979 http://purl.obolibrary.org/obo/dinto_1970 http://purl.obolibrary.org/obo/dinto_2058 http://purl.obolibrary.org/obo/dinto_2993 http://purl.obolibrary.org/obo/dinto_0291 http://purl.obolibrary.org/obo/dinto_0269 http://purl.obolibrary.org/obo/dinto_1987 http://purl.obolibrary.org/obo/dinto_0901 http://purl.obolibrary.org/obo/dinto_1440 |
|
| is metabolised by |
http://purl.obolibrary.org/obo/dinto_2651 http://purl.obolibrary.org/obo/dinto_2058 http://purl.obolibrary.org/obo/dinto_2990 http://purl.obolibrary.org/obo/dinto_2993 http://purl.obolibrary.org/obo/dinto_0293 http://purl.obolibrary.org/obo/dinto_0291 http://purl.obolibrary.org/obo/dinto_0901 |
|
| is transported by | ||
| label |
quinine |
|
| may interact with |
http://purl.obolibrary.org/obo/CHEBI_32250 http://purl.obolibrary.org/obo/dinto_DB00519 http://purl.obolibrary.org/obo/CHEBI_4551 http://purl.obolibrary.org/obo/CHEBI_127342 http://purl.obolibrary.org/obo/CHEBI_41774 http://purl.obolibrary.org/obo/CHEBI_9939 http://purl.obolibrary.org/obo/CHEBI_156095 http://purl.obolibrary.org/obo/dinto_DB01336 http://purl.obolibrary.org/obo/dinto_DB00342 http://purl.obolibrary.org/obo/CHEBI_53766 http://purl.obolibrary.org/obo/CHEBI_45652 http://purl.obolibrary.org/obo/CHEBI_6780 http://purl.obolibrary.org/obo/CHEBI_133809 http://purl.obolibrary.org/obo/CHEBI_9566 http://purl.obolibrary.org/obo/CHEBI_51364 http://purl.obolibrary.org/obo/dinto_DB00582 http://purl.obolibrary.org/obo/CHEBI_15367 http://purl.obolibrary.org/obo/CHEBI_10119 http://purl.obolibrary.org/obo/CHEBI_9635 http://purl.obolibrary.org/obo/CHEBI_7907 http://purl.obolibrary.org/obo/CHEBI_2914 http://purl.obolibrary.org/obo/CHEBI_9398 http://purl.obolibrary.org/obo/CHEBI_10033 http://purl.obolibrary.org/obo/CHEBI_45716 http://purl.obolibrary.org/obo/dinto_DB01396 http://purl.obolibrary.org/obo/CHEBI_4513 http://purl.obolibrary.org/obo/CHEBI_2896 http://purl.obolibrary.org/obo/CHEBI_195280 |
|
| prefixIRI |
obo2:CHEBI_15854 |
|
| prefLabel |
quinine |
|
| related with | ||
| SMILES |
[H][C@]1(C[C@@H]2CC[N@]1C[C@@H]2C=C)[C@H](O)C1=CC=NC2=CC=C(OC)C=C12 [H][C@]1(C[C@@H]2CC[N@]1C[C@@H]2C=C)[C@H](O)c1ccnc2ccc(OC)cc12 |
|
| Synonym |
Quinine (-)-quinine chininum Chinin (9R)-6'-methoxy-8alpha-cinchonan-9-ol (8S,9R)-quinine quinine (R)-(6-methoxyquinolin-4-yl)((2S,4S,8R)-8-vinylquinuclidin-2-yl)methanol quinina (R)-(-)-quinine 6'-methoxycinchonidine (R)-[(1S,2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methanol chinine C20H24N2O2 |
|
| xref |
ChEMBL:8182707 KEGG COMPOUND:C06526 Drugs Product Database (DPD):2254522 ChEMBL:10937718 Guide To Pharmacology:2510 ChEMBL:17570664 ChEMBL:10891117 KEGG DRUG:D08460 ChEMBL:12127529 Beilstein:91867 IUPHAR:2510 ChEMBL:15027870 ChEMBL:10821711 ChEMBL:18348514 ChEMBL:11728183 ChEMBL:11549443 BindingDB:50198086 ChEMBL:11855978 ChEMBL:18788725 ChEMBL:15026051 ChEMBL:12213073 CiteXplore:14761192 ChEMBL:15225721 ChEMBL:12502361 ChEMBL:17506538 ChEMBL:2657065 ChEMBL:17850126 ChEMBL:16524728 ChEMBL:2579237 ChEMBL:15857133 Drugs.com:http://www.drugs.com/cdi/quinine.html PharmGKB:PA451213 ChEMBL:12477351 NIST Chemistry WebBook:130-95-0 Wikipedia:Quinine ChEMBL:12798326 ChEMBL:17482816 DrugBank:DB00468 ChEMBL:16933872 ChEMBL:12873511 National Drug Code Directory:13310-153-07 RxList:http://www.rxlist.com/cgi/generic3/quinine.htm ChEMBL:11212126 ChEBI:15854 ChEMBL:7009867 Wikipedia:http://en.wikipedia.org/wiki/Quinine ChEMBL:11844668 ChEMBL:12217353 CASRN:130-95-0 |
|
| subClassOf |