Compound Identification
SMILES
CC1=CC(NC(=S)NC2=C(C=CC(=C2)C(=O)N2CCCCCC2)N2CC3CC(C2)C2=CC=CC(=O)N2C3)=CC(C)=C1
InChIKey
InChIKey=ZXOYOPOFOOSKSU-UHFFFAOYSA-N
Formula
C33H39N5O2S
Mass
569.77
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 m-Xylenes Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines Aralkylamines Azepanes Pyridinones Tertiary carboxylic acid amides Heteroaromatic compounds Thioureas Amino acids and derivatives Lactams Azacyclic compounds Organic oxides Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - Phenylpiperidine - Aminobenzamide - Aminobenzoic acid or derivatives - N-phenylthiourea - Benzamide - Benzoic acid or derivatives - M-xylene - Xylene - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Azepane - Aralkylamine - Pyridinone - Benzenoid - Pyridine - Piperidine - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Heteroaromatic compound - Thiourea - Tertiary amine - Amino acid or derivatives - Lactam - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Amine - Organic oxygen 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