Compound Identification
SMILES
CC1=CC(NC(=S)N2C[C@H]3C[C@@H](C2)C2=CC=CC(=O)N2C3)=CC=C1
InChIKey
InChIKey=SAYDOFHRPABVEP-CABCVRRESA-N
Formula
C19H21N3OS
Mass
339.46
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
N-phenylthioureas Toluenes Pyridinones Piperidines Heteroaromatic compounds Thioureas Tertiary amines Lactams Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - N-phenylthiourea - Pyridinone - Toluene - Monocyclic benzene moiety - Piperidine - Benzenoid - Pyridine - Heteroaromatic compound - Lactam - Tertiary amine - Thiourea - Organoheterocyclic compound - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Amine - Hydrocarbon derivative - 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