CHEBI:86455 - optochin

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ChEBI Name optochin
ChEBI ID CHEBI:86455
Definition A cinchona alkaloid consisting of 10,11-dihydrocinchonan bearing hydroxy and ethoxy substituents at positions 9 and 6' respectively.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C21H28N2O2
Net Charge 0
Average Mass 340.45920
Monoisotopic Mass 340.21508
InChI InChI=1S/C21H28N2O2/c1-3-14-13-23-10-8-15(14)11-20(23)21(24)17-7-9-22-19-6-5-16(25-4-2)12-18(17)19/h5-7,9,12,14-15,20-21,24H,3-4,8,10-11,13H2,1-2H3/t14-,15-,20-,21+/m0/s1
InChIKey SUWZHLCNFQWNPE-LATRNWQMSA-N
SMILES CCOc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CC[N@]3C[C@@H]4CC)c2c1
Roles Classification
Biological Role(s): EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
An EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitor that inhibits H+/K+-exchanging ATPase, EC 3.6.3.10. Such compounds are also known as proton pump inhibitors.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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ChEBI Ontology
Outgoing optochin (CHEBI:86455) has functional parent cinchonan (CHEBI:35933)
optochin (CHEBI:86455) has role EC 3.6.3.10 (H+/K+-exchanging ATPase) inhibitor (CHEBI:49200)
optochin (CHEBI:86455) is a aromatic ether (CHEBI:35618)
optochin (CHEBI:86455) is a cinchona alkaloid (CHEBI:51323)
IUPAC Name
(8α,9R)-6'-ethoxy-10,11-dihydrocinchonan-9-ol
Synonyms Sources
Ethylhydrocupreine ChemIDplus
Hydrocupreine ethyl ether ChemIDplus
Optoquine ChemIDplus
Manual Xrefs Databases
3740 DrugCentral
Optochin Wikipedia
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Registry Numbers Types Sources
522-60-1 CAS Registry Number ChemIDplus
92227 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11474432 PubMed citation Europe PMC
25543170 PubMed citation Europe PMC
Last Modified
22 February 2017