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> Main
CHEBI:86455 - optochin
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ChEBI Ontology
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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
)
View more via ChEBI Ontology
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,9
R
)-6'-ethoxy-10,11-dihydrocinchonan-9-ol
Synonyms
Sources
Ethylhydrocupreine
ChemIDplus
Hydrocupreine ethyl ether
ChemIDplus
Optoquine
ChemIDplus
Manual Xrefs
Databases
3740
DrugCentral
Optochin
Wikipedia
View more database links
Registry Numbers
Types
Sources
522-60-1
CAS Registry Number
ChemIDplus
92227
Reaxys Registry Number
Reaxys
Citations
Types
Sources
11474432
PubMed citation
Europe PMC
25543170
PubMed citation
Europe PMC
Last Modified
22 February 2017