Compound Identification
SMILES
CCOC1=C(C[NH+]2CC3CC(C2)C2=CC=CC(=O)N2C3)C=C(C=NNC(=O)C2=NNC(=C2)C(C)(C)C)C=C1
InChIKey
InChIKey=ZDCBRPLVRIMSFF-UHFFFAOYSA-O
Formula
C29H37N6O3
Mass
517.653
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
N-benzylpiperidines Benzylamines Phenol ethers Phenoxy compounds Phenylmethylamines Pyrazole-5-carboxamides Aralkylamines Alkyl aryl ethers Pyridinones Heteroaromatic compounds Quaternary ammonium salts Amino acids and derivatives Trialkylamines Lactams Azacyclic compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - N-benzylpiperidine - Benzylpiperidine - Phenoxy compound - Benzylamine - Pyrazole-5-carboxamide - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Pyridinone - Monocyclic benzene moiety - Piperidine - Pyridine - Benzenoid - Quaternary ammonium salt - Pyrazole - Azole - Heteroaromatic compound - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Lactam - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organic cation - 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