CHEBI:17685 - 3-hydroxyquinine

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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,9R)-6'-methoxycinchonan-3,9-diol
Synonym Source
3-Hydroxyquinine KEGG COMPOUND
Manual Xref Database
C07344 KEGG COMPOUND
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Registry Numbers Types Sources
78549-61-8 CAS Registry Number KEGG COMPOUND
94386 Beilstein Registry Number Beilstein
Last Modified
23 October 2015