Compound Identification
SMILES
CCCCN(C)C(=O)C1=CC(NC(=S)NC2=CC=C(C)C=C2)=C(C=C1)N1CC2CC(C1)C1=CC=CC(=O)N1C2
InChIKey
InChIKey=LHWZWHRPSDFOIP-UHFFFAOYSA-N
Formula
C31H37N5O2S
Mass
543.73
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
Phenylpiperidines Aminobenzamides N-phenylthioureas Benzamides Aniline and substituted anilines Dialkylarylamines Benzoyl derivatives Toluenes Pyridinones Aralkylamines Tertiary carboxylic acid amides Heteroaromatic compounds Thioureas Amino acids and derivatives Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - Phenylpiperidine - Aminobenzamide - Aminobenzoic acid or derivatives - N-phenylthiourea - Benzamide - Benzoic acid or derivatives - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Benzoyl - Dialkylarylamine - Toluene - Aralkylamine - Pyridinone - Piperidine - Monocyclic benzene moiety - Benzenoid - Pyridine - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Thiourea - Lactam - Tertiary amine - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur 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