Compound Identification
SMILES
COC1=CC=C(C=C2SC(=S)N(CCC(=O)N3CC4CC(C3)C3=CC=CC(=O)N3C4)C2=O)C=C1
InChIKey
InChIKey=KBAAVNZHBLMOHL-UHFFFAOYSA-N
Formula
C25H25N3O4S2
Mass
495.61
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
Beta amino acids and derivatives N-acylpiperidines Phenoxy compounds Anisoles Methoxybenzenes Pyridinones Alkyl aryl ethers Thiazolidinethiones Tertiary carboxylic acid amides Heteroaromatic compounds Cyclic dithiocarbamic acid esters Lactams Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organosulfur compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - Beta amino acid or derivatives - N-acyl-piperidine - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyridinone - Monocyclic benzene moiety - Benzenoid - Thiazolidinethione - Pyridine - Piperidine - Heteroaromatic compound - Dithiocarbamic acid ester - Thiazolidine - Tertiary carboxylic acid amide - Cyclic dithiocarbamic acid ester - Carboxamide group - Lactam - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - 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