Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)NC1=CC=C2[C@@H]3C[C@@H](CN(CC4=CC=CC=N4)C3)CN2C1=O
InChIKey
InChIKey=XCKWBSZWLMBDFL-PKOBYXMFSA-N
Formula
C25H26N4O3
Mass
430.508
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
Benzamides 2-pyridylmethylamines Anisoles Benzoyl derivatives Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Aralkylamines Pyridinones Piperidines Heteroaromatic compounds Amino acids and derivatives Trialkylamines Secondary carboxylic acid amides Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - Benzamide - Benzoic acid or derivatives - Anisole - Phenoxy compound - 2-pyridylmethylamine - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyridinone - Aralkylamine - Pyridine - Piperidine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactam - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Organic oxide - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Organic nitrogen 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