EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:181851 - Channaine

ChEBI IDCHEBI:181851
ChEBI NameChannaine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H38N2O6
Net Charge0
Average Mass546.664
Monoisotopic Mass546.27299
SMILESCOc1ccc(C23C=C4C5CC6(O)CC7N(CCC57c5ccc(OC)c(OC)c5)C4(CC2NCC3)O6)cc1OC
InChIInChI=1S/C32H38N2O6/c1-36-23-7-5-19(13-25(23)38-3)29-9-11-33-27(29)17-32-22(15-29)21-16-30(35,40-32)18-28-31(21,10-12-34(28)32)20-6-8-24(37-2)26(14-20)39-4/h5-8,13-15,21,27-28,33,35H,9-12,16-18H2,1-4H3
InChIKeyFOAPBJMMOXYHAN-UHFFFAOYSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
Channaine (CHEBI:181851) is a diarylheptanoid (CHEBI:78802)
IUPAC Name 
7,15-bis(3,4-dimethoxyphenyl)-19-oxa-4,18-diazahexacyclo[10.6.1.01,9.03,7.010,15.014,18]nonadec-8-en-12-ol
Manual XrefsDatabases
29814384ChemSpider