CHEBI:28582 - cupreine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cupreine
ChEBI ID CHEBI:28582
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:3959, CHEBI:23413
Supplier Information
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Formula C19H22N2O2
Net Charge 0
Average Mass 310.39026
Monoisotopic Mass 310.16813
InChI InChI=1S/C19H22N2O2/c1-2-12-11-21-8-6-13(12)9-18(21)19(23)15-5-7-20-17-4-3-14(22)10-16(15)17/h2-5,7,10,12-13,18-19,22-23H,1,6,8-9,11H2/t12-,13-,18+,19+/m0/s1
InChIKey VJFMSYZSFUWQPZ-MBZVMHRFSA-N
SMILES [H][C@@]1(C[C@@H]2CC[N@]1C[C@@H]2C=C)[C@H](O)c1ccnc2ccc(O)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 cupreine (CHEBI:28582) has parent hydride cinchonan (CHEBI:35933)
cupreine (CHEBI:28582) is a cinchona alkaloid (CHEBI:51323)
IUPAC Name
(9R)-cinchonan-6',9-diol
Synonyms Sources
6'-Hydroxycinchonidine ChemIDplus
Cupreine KEGG COMPOUND
Manual Xrefs Databases
C00026411 KNApSAcK
C06530 KEGG COMPOUND
View more database links
Registry Number Type Source
524-63-0 CAS Registry Number KEGG COMPOUND
Last Modified
04 August 2014