Compound Identification
SMILES
CC1=C(C)C=C(C=C1)C(=O)NC(=CC1=CC=CC=C1F)C(=O)N1CC2CC(C1)C1=CC=CC(=O)N1C2
InChIKey
InChIKey=BQAAZVVBVBMJCY-UHFFFAOYSA-N
Formula
C29H28FN3O3
Mass
485.559
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
N-acyl-alpha amino acids and derivatives Hippuric acids and derivatives Alpha amino acid amides Cinnamic acids and derivatives N-acylpiperidines o-Xylenes Benzoyl derivatives Pyridinones Fluorobenzenes Aryl fluorides Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Organic oxides Carbonyl compounds Organofluorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - Cinnamic acid or derivatives - Alpha-amino acid or derivatives - N-acyl-piperidine - Benzamide - Benzoic acid or derivatives - O-xylene - Xylene - Benzoyl - Pyridinone - Fluorobenzene - Halobenzene - Pyridine - Piperidine - Aryl halide - Monocyclic benzene moiety - Aryl fluoride - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Lactam - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - 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