EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:135994 - hydroquinine

ChEBI IDCHEBI:135994
ChEBI Namehydroquinine
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC20H26N2O2
Net Charge0
Average Mass326.440
Monoisotopic Mass326.19943
SMILES[H][C@@]1([C@H](O)c2ccnc3ccc(OC)cc23)C[C@@H]2CC[N@@]1C[C@@H]2CC
InChIInChI=1S/C20H26N2O2/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/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3/t13-,14-,19-,20+/m0/s1
InChIKeyLJOQGZACKSYWCH-WZBLMQSHSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
hydroquinine (CHEBI:135994) is a cinchona alkaloid (CHEBI:51323)
Synonym  Source
dihydroquinineDrugCentral
Manual XrefsDatabases
4570DrugCentral
Registry NumbersSources
CAS:522-66-7DrugCentral