Compound Identification
SMILES
BrC1=CC=C2C3CNCC(C3)CN2C1=O.CN1C2=C(C3=CC=CC=C13)C(=O)C(CN1C=CN=C1C)CC2
InChIKey
InChIKey=ZGWIOMZCPXRVSB-UHFFFAOYSA-N
Formula
C29H32BrN5O2
Mass
562.512
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
-
Class
Lupin alkaloids
- Subclass Cytisine and derivatives
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Class
Lupin alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Lupin alkaloids
Subclass
Cytisine and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Cytisine and derivatives
Alternative Parents
Carbazoles N-alkylindoles Indoles Aryl alkyl ketones Aralkylamines Pyridinones Piperidines Aryl bromides Benzenoids N-substituted imidazoles N-methylpyrroles Heteroaromatic compounds Vinylogous amides Lactams Dialkylamines Azacyclic compounds Organobromides Hydrocarbon derivatives Organic oxides
Molecular Framework
Not available
Substituents
Cytisine - Carbazole - N-alkylindole - Indole - Indole or derivatives - Aryl ketone - Aryl alkyl ketone - Pyridinone - Aralkylamine - Aryl bromide - Aryl halide - N-methylpyrrole - N-substituted imidazole - Piperidine - Pyridine - Substituted pyrrole - Benzenoid - Vinylogous amide - Azole - Pyrrole - Heteroaromatic compound - Imidazole - Lactam - Ketone - Organoheterocyclic compound - Azacycle - Secondary aliphatic amine - Secondary amine - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Amine - Organohalogen compound - Organic oxygen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cytisine and derivatives. These are lupin alkaloids with a structure based on the cytisine skeleton, which is a tetracyclic ketone containing fused pyridine and piperidine rings that form pyrido[1,2a][1,5]diazocin-8-one.
External Descriptors
Not available