Compound Identification
SMILES
ClC1=CC=C(OCC2=C(C=CO2)C(=O)N2CC3CC(C2)C2=CC=CC(=O)N2C3)C=C1
InChIKey
InChIKey=MVPRCBNSWJUFRI-UHFFFAOYSA-N
Formula
C23H21ClN2O4
Mass
424.88
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-acylpiperidines Furan-3-carboxylic acid and derivatives Phenol ethers Phenoxy compounds Alkyl aryl ethers Chlorobenzenes Pyridinones Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - N-acyl-piperidine - Furoic acid or derivatives - Furan-3-carboxylic acid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Halobenzene - Pyridinone - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Piperidine - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Furan - Lactam - Carboxamide group - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Ether - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - 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