Compound Identification
SMILES
COC1=C(C=C(Cl)C=C1)C(=O)NC(=CC1=CC=CC=C1Cl)C(=O)N1CC2CC(C1)C1=CC=CC(=O)N1C2
InChIKey
InChIKey=WHEBCUGHUXMVIS-UHFFFAOYSA-N
Formula
C28H25Cl2N3O4
Mass
538.43
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
Hippuric acids and derivatives N-acyl-alpha amino acids and derivatives Cinnamic acids and derivatives Alpha amino acid amides 3-halobenzoic acids and derivatives N-acylpiperidines Benzoyl derivatives Anisoles Methoxybenzenes Phenoxy compounds Pyridinones Chlorobenzenes Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Tertiary carboxylic acid amides Lactams Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides 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 - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - N-acyl-piperidine - Benzoyl - Phenoxy compound - Phenol ether - Methoxybenzene - Anisole - Chlorobenzene - Halobenzene - Pyridinone - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Pyridine - Piperidine - Aryl halide - Aryl chloride - Heteroaromatic compound - Tertiary carboxylic acid amide - Lactam - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organic oxide - Carbonyl group - Organic oxygen compound - Organonitrogen 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