CHEBI:27920 - cuscohygrine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cuscohygrine
ChEBI ID CHEBI:27920
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:3963, CHEBI:23415
Supplier Information
Download Molfile XML SDF
Formula C13H24N2O
Net Charge 0
Average Mass 224.34254
Monoisotopic Mass 224.189
InChI InChI=1S/C13H24N2O/c1-14-7-3-5-11(14)9-13(16)10-12-6-4-8-15(12)2/h11-12H,3-10H2,1-2H3/t11-,12+
InChIKey ZEBIACKKLGVLFZ-TXEJJXNPSA-N
SMILES CN1CCC[C@H]1CC(=O)C[C@H]1CCCN1C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing cuscohygrine (CHEBI:27920) is a N-alkylpyrrolidine (CHEBI:46775)
cuscohygrine (CHEBI:27920) is a pyrrolidine alkaloid (CHEBI:26456)
IUPAC Name
1-[(2R)-1-methylpyrrolidin-2-yl]-3-[(2S)-1-methylpyrrolidin-2-yl]propan-2-one
Synonyms Sources
(R*,S*)-1,3-Bis(1-methyl-2-pyrrolidinyl)-2-propanone ChemIDplus
1-[(2R)-1-methylpyrrolidin-2-yl]-3-[(2S)-1-methylpyrrolidin-2-yl]acetone ChEBI
Cuscohygrine KEGG COMPOUND
Cuskhygrine KEGG COMPOUND
meso-Cuscohygrine ChemIDplus
Manual Xrefs Databases
C00002034 KNApSAcK
C00025564 KNApSAcK
C06521 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
10142 Beilstein Registry Number Beilstein
454-14-8 CAS Registry Number KEGG COMPOUND
454-14-8 CAS Registry Number NIST Chemistry WebBook
454-14-8 CAS Registry Number ChemIDplus
Last Modified
04 August 2014
General Comment
2007-10-03 Relative stereochemistry. The structure, InChI and SMILES shown are those for the isomer with 2R,2'S absolute stereochemistry.