EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:38971 - meso-chimonanthine

ChEBI IDCHEBI:38971
ChEBI Namemeso-chimonanthine
Stars
ASCII Namemeso-chimonanthine
Last Modified24 July 2007
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC22H26N4
Net Charge0
Average Mass346.478
Monoisotopic Mass346.21575
SMILES[H][C@@]12Nc3ccccc3[C@]1([C@]13CCN(C)[C@@]1([H])Nc1ccccc13)CCN2C
InChIInChI=1S/C22H26N4/c1-25-13-11-21(15-7-3-5-9-17(15)23-19(21)25)22-12-14-26(2)20(22)24-18-10-6-4-8-16(18)22/h3-10,19-20,23-24H,11-14H2,1-2H3/t19-,20+,21+,22-
InChIKeyHOYXPMHLHJOGHD-ZDNVTZCJSA-N
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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)
meso-chimonanthine (CHEBI:38971) is a chimonanthine (CHEBI:38955)
IUPAC Name 
(3aR,3a'S,8aR,8a'S)-1,1'-dimethyl-2,2',3,3',8,8',8a,8a'-octahydro-1H,1'H-3a,3a'-bipyrrolo[2,3-b]indole
Registry NumbersSources
Beilstein:7601922Beilstein