Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C(=O)CN1C[C@H]2C[C@@H](C1)C1=CC=CC(=O)N1C2
InChIKey
InChIKey=PLQNCHDDFUVREM-ZBFHGGJFSA-N
Formula
C21H24N2O4
Mass
368.433
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
Alkyl-phenylketones Dimethoxybenzenes Anisoles Aryl alkyl ketones Phenoxy compounds Benzoyl derivatives Alkyl aryl ethers Pyridinones Aralkylamines Piperidines Alpha-amino ketones Heteroaromatic compounds Trialkylamines Lactams Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - Alkyl-phenylketone - Dimethoxybenzene - O-dimethoxybenzene - Phenylketone - Benzoyl - Methoxybenzene - Phenoxy compound - Aryl alkyl ketone - Aryl ketone - Phenol ether - Anisole - Aralkylamine - Alkyl aryl ether - Pyridinone - Pyridine - Monocyclic benzene moiety - Benzenoid - Piperidine - Heteroaromatic compound - Alpha-aminoketone - Ketone - Lactam - Tertiary aliphatic amine - Tertiary amine - Ether - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Amine - Organic oxide - 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