EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:4319 - Daphnandrine

ChEBI IDCHEBI:4319
ChEBI NameDaphnandrine
Stars
Last Modified12 August 2016
DownloadsMolfile
FormulaC36H38N2O6
Net Charge0
Average Mass594.708
Monoisotopic Mass594.27299
SMILES[H][C@@]12Cc3ccc(OC)c(c3)Oc3ccc(cc3)C[C@@]3([H])c4c(cc(OC)c(O)c4Oc4cc1c(cc4OC)CCN2)CCN3C
InChIInChI=1S/C36H38N2O6/c1-38-14-12-24-19-33(42-4)35(39)36-34(24)28(38)16-21-5-8-25(9-6-21)43-31-17-22(7-10-29(31)40-2)15-27-26-20-32(44-36)30(41-3)18-23(26)11-13-37-27/h5-10,17-20,27-28,37,39H,11-16H2,1-4H3/t27-,28+/m1/s1
InChIKeyREKCBEFSIKOPTD-IZLXSDGUSA-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)
Daphnandrine (CHEBI:4319) is a bisbenzylisoquinoline alkaloid (CHEBI:133004)
Daphnandrine (CHEBI:4319) is a isoquinolines (CHEBI:24922)
Synonym  Source
DaphnandrineKEGG COMPOUND
Manual XrefsDatabases
C09415KEGG COMPOUND
C00001843KNApSAcK
Registry NumbersSources
CAS:1183-76-2KEGG COMPOUND