Compound Identification
SMILES
O[C@H](CNC1=CC(O)=CC=C1)CN1C[C@@H]2C[C@H](C1)C1=CC=CC(=O)N1C2
InChIKey
InChIKey=NIESREDNVAQROX-HDMKZQKVSA-N
Formula
C20H25N3O3
Mass
355.438
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
m-Aminophenols Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines Pyridinones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Piperidines Heteroaromatic compounds Trialkylamines Secondary alcohols 1,2-aminoalcohols Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - M-aminophenol - Aminophenol - Phenylalkylamine - Aniline or substituted anilines - Pyridinone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Secondary aliphatic/aromatic amine - Phenol - Aralkylamine - Pyridine - Monocyclic benzene moiety - Piperidine - Benzenoid - Heteroaromatic compound - Tertiary amine - Secondary alcohol - Tertiary aliphatic amine - 1,2-aminoalcohol - Lactam - Azacycle - Organoheterocyclic compound - Secondary amine - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Alcohol - Amine - 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