Compound Identification
SMILES
CC1=CC=CC=C1C(=O)NC(=CC1=CC(Br)=CC=C1)C(=O)N1CC2CC(C1)C1=CC=CC(=O)N1C2
InChIKey
InChIKey=FQAZDGSXBXUUDP-UHFFFAOYSA-N
Formula
C28H26BrN3O3
Mass
532.438
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
-
Class
Lupin alkaloids
- Subclass Cytisine and derivatives
-
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
N-acyl-alpha amino acids and derivatives Hippuric acids and derivatives Alpha amino acid amides Cinnamic acids and derivatives o-Toluamides N-acylpiperidines Benzoyl derivatives Pyridinones Bromobenzenes Aryl bromides Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Cinnamic acid or derivatives - Alpha-amino acid or derivatives - O-toluamide - Toluamide - N-acyl-piperidine - Benzoic acid or derivatives - Benzamide - Benzoyl - Halobenzene - Bromobenzene - Toluene - Pyridinone - Aryl bromide - Aryl halide - Piperidine - Monocyclic benzene moiety - Pyridine - Benzenoid - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Lactam - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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