Compound Identification
SMILES
CCOCCCN1C(=S)S\C(=C/C2=C(N=C3C=CC=CN3C2=O)N2C[C@@H]3C[C@H](C2)C2=CC=CC(=O)N2C3)C1=O
InChIKey
InChIKey=PQQNBBHMEOXZCI-PKZBJUDCSA-N
Formula
C28H29N5O4S2
Mass
563.69
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
Pyridopyrimidines Dialkylarylamines Aminopyrimidines and derivatives Pyrimidones Pyridinones Thiazolidinethiones Imidolactams Piperidines Vinylogous amides Heteroaromatic compounds Cyclic dithiocarbamic acid esters Lactams Amino acids and derivatives Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organosulfur compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - Pyridopyrimidine - Dialkylarylamine - Aminopyrimidine - Pyridinone - Pyrimidone - Piperidine - Pyridine - Pyrimidine - Thiazolidinethione - Imidolactam - Dithiocarbamic acid ester - Thiazolidine - Heteroaromatic compound - Vinylogous amide - Cyclic dithiocarbamic acid ester - Tertiary amine - Amino acid or derivatives - Lactam - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Organic oxygen compound - Organic oxide - Organic nitrogen compound - 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