EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:38955 - chimonanthine

ChEBI IDCHEBI:38955
ChEBI Namechimonanthine
Stars
DefinitionA ring assembly that is 2,2',3,3',8,8',8a,8a'-octahydro-1H,1'H-3a,3a'-bipyrrolo[2,3-b]indole substituted by methyl groups at positions 1 and 1'.
Last Modified29 January 2015
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC22H26N4
Net Charge0
Average Mass346.478
Monoisotopic Mass346.21575
SMILESCN1CCC2(C34CCN(C)C3Nc3ccccc34)c3ccccc3NC12
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
InChIKeyHOYXPMHLHJOGHD-UHFFFAOYSA-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)
chimonanthine (CHEBI:38955) is a calycanthaceous alkaloid (CHEBI:38968)
chimonanthine (CHEBI:38955) is a pyrroloindole (CHEBI:48133)
chimonanthine (CHEBI:38955) is a ring assembly (CHEBI:36820)
Incoming Relation(s)
calycanthidine (CHEBI:38970) has functional parent chimonanthine (CHEBI:38955)
folicanthine (CHEBI:38974) has functional parent chimonanthine (CHEBI:38955)
(+)-chimonanthine (CHEBI:38953) is a chimonanthine (CHEBI:38955)
(−)-chimonanthine (CHEBI:87) is a chimonanthine (CHEBI:38955)
meso-chimonanthine (CHEBI:38971) is a chimonanthine (CHEBI:38955)
IUPAC Name 
1,1'-dimethyl-2,2',3,3',8,8',8a,8a'-octahydro-1H,1'H-3a,3a'-bipyrrolo[2,3-b]indole
Registry NumbersSources
Reaxys:1229276Reaxys