Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)NC1=CC=C2[C@@H]3C[C@H](CN2C1=O)C[NH+](CC1=CC=CC=N1)C3
InChIKey
InChIKey=XCKWBSZWLMBDFL-PKOBYXMFSA-O
Formula
C25H27N4O3
Mass
431.515
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
Benzamides 2-pyridylmethylamines Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Pyridinones Aralkylamines Piperidines Quaternary ammonium salts Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Lactams Azacyclic compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - Benzamide - Benzoic acid or derivatives - Phenoxy compound - 2-pyridylmethylamine - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Aralkylamine - Pyridinone - Monocyclic benzene moiety - Piperidine - Pyridine - Benzenoid - Quaternary ammonium salt - Heteroaromatic compound - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Secondary carboxylic acid amide - Lactam - Carboxamide group - Organoheterocyclic compound - Ether - Azacycle - Carboxylic acid derivative - Organic oxygen compound - Amine - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organic cation - 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