Compound Identification
SMILES
CC1=C(C2=NC3=CC=CC=C3S2)C(=O)C2=C(O1)C(CN1CC3CC(C1)C1=CC=CC(=O)N1C3)=C(O)C=C2
InChIKey
InChIKey=BKQGQENHENEIKQ-UHFFFAOYSA-N
Formula
C29H25N3O4S
Mass
511.6
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
Chromones Benzothiazoles 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Pyranones and derivatives Pyridinones Piperidines Heteroaromatic compounds Thiazoles Lactams Trialkylamines Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - Chromone - Benzopyran - 1-benzopyran - 1,3-benzothiazole - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Pyridinone - Aralkylamine - Benzenoid - Pyridine - Pyran - Piperidine - Heteroaromatic compound - Thiazole - Azole - Tertiary aliphatic amine - Tertiary amine - Lactam - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Amine - Organic nitrogen 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