Compound Identification
SMILES
O=C1N(C2CCCC2)C(=S)S\C1=C/N1C[C@H]2C[C@@H](C1)C1=CC=CC(=O)N1C2
InChIKey
InChIKey=ZTSUMHXBMLBMSL-GJRBHXFNSA-N
Formula
C20H23N3O2S2
Mass
401.54
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
Aralkylamines Pyridinones Piperidines Thiazolidinethiones Vinylogous amides Cyclic dithiocarbamic acid esters Heteroaromatic compounds Lactams Amino acids and derivatives Trialkylamines Azacyclic compounds Enamines Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organosulfur compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - Pyridinone - Aralkylamine - Piperidine - Pyridine - Thiazolidinethione - Cyclic dithiocarbamic acid ester - Thiazolidine - Heteroaromatic compound - Dithiocarbamic acid ester - Vinylogous amide - Amino acid or derivatives - Lactam - Tertiary amine - Tertiary aliphatic amine - Enamine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - 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