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> Main
CHEBI:17685 - 3-hydroxyquinine
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ChEBI Ontology
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ChEBI Name
3-hydroxyquinine
ChEBI ID
CHEBI:17685
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:11838, CHEBI:1555
Supplier Information
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Formula
C20H24N2O3
Net Charge
0
Average Mass
340.41624
Monoisotopic Mass
340.17869
InChI
InChI=1S/C20H24N2O3/c1-
3-
20(24)
12-
22-
9-
7-
13(20)
10-
18(22)
19(23)
15-
6-
8-
21-
17-
5-
4-
14(25-
2)
11-
16(15)
17/h3-
6,8,11,13,18-
19,23-
24H,1,7,9-
10,12H2,2H3/t13-
,18-
,19+,20+/m0/s1
InChIKey
BSRUJCFCZKMFMB-YGHPHNMRSA-N
SMILES
[H][C@]1(C[C@@H]2CC[N@]1C[C@]2(O)C=C)[C@H](O)c1ccnc2ccc(OC)cc12
Roles Classification
Biological Role
(s):
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
3-hydroxyquinine (
CHEBI:17685
)
has functional parent
quinine (
CHEBI:15854
)
3-hydroxyquinine (
CHEBI:17685
)
has functional parent
quinine(1+) (
CHEBI:137041
)
3-hydroxyquinine (
CHEBI:17685
)
is a
cinchona alkaloid (
CHEBI:51323
)
3-hydroxyquinine (
CHEBI:17685
)
is conjugate base of
3-hydroxyquininium (
CHEBI:58234
)
Incoming
3-hydroxyquininium (
CHEBI:58234
)
is conjugate acid of
3-hydroxyquinine (
CHEBI:17685
)
IUPAC Name
(8α,9
R
)-6'-methoxycinchonan-3,9-diol
Synonym
Source
3-Hydroxyquinine
KEGG COMPOUND
Manual Xref
Database
C07344
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
78549-61-8
CAS Registry Number
KEGG COMPOUND
94386
Beilstein Registry Number
Beilstein
Last Modified
23 October 2015