EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:38970 - calycanthidine

ChEBI IDCHEBI:38970
ChEBI Namecalycanthidine
Stars
Last Modified21 April 2011
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC23H28N4
Net Charge0
Average Mass360.505
Monoisotopic Mass360.23140
SMILESCN1CCC2(C34CCN(C)C3N(C)c3ccccc34)c3ccccc3NC12
InChIInChI=1S/C23H28N4/c1-25-14-12-22(16-8-4-6-10-18(16)24-20(22)25)23-13-15-26(2)21(23)27(3)19-11-7-5-9-17(19)23/h4-11,20-21,24H,12-15H2,1-3H3
InChIKeyGSQUXSFTXJRLQJ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
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)
calycanthidine (CHEBI:38970) has functional parent chimonanthine (CHEBI:38955)
calycanthidine (CHEBI:38970) is a aminal (CHEBI:35412)
calycanthidine (CHEBI:38970) is a calycanthaceous alkaloid (CHEBI:38968)
calycanthidine (CHEBI:38970) is a organonitrogen heterocyclic compound (CHEBI:38101)
Incoming Relation(s)
(+)-calycanthidine (CHEBI:3332) is a calycanthidine (CHEBI:38970)
(−)-calycanthidine (CHEBI:38969) is a calycanthidine (CHEBI:38970)
IUPAC Name 
1,1',8-trimethyl-2,2',3,3',8,8',8a,8a'-octahydro-1H,1'H-3a,3a'-bipyrrolo[2,3-b]indole
Registry NumbersSources
Beilstein:630371Beilstein