Compound Identification
SMILES
CCC1=C(Br)C(=O)OC2=C1C=CC(OCC(=O)N1CC3CC(C1)C1=CC=CC(=O)N1C3)=C2
InChIKey
InChIKey=LJFZGVSQALSNRY-UHFFFAOYSA-N
Formula
C24H23BrN2O5
Mass
499.361
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
Coumarins and derivatives 1-benzopyrans N-acylpiperidines Phenol ethers Pyridinones Pyranones and derivatives Alkyl aryl ethers Aryl bromides Tertiary carboxylic acid amides Heteroaromatic compounds Lactones Lactams Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - Coumarin - Benzopyran - 1-benzopyran - N-acyl-piperidine - Phenol ether - Alkyl aryl ether - Pyridinone - Pyranone - Aryl bromide - Aryl halide - Benzenoid - Pyridine - Pyran - Piperidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen 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