Compound Identification
SMILES
COC1=CC=CC=C1N1CCN(CC1)C(=O)C1=CC(N)=C(C=C1)N1CC2CC(C1)C1=CC=CC(=O)N1C2
InChIKey
InChIKey=ZQXHEWNINHIESN-UHFFFAOYSA-N
Formula
C29H33N5O3
Mass
499.615
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-arylpiperazines Phenylpiperazines Phenylpiperidines Aminobenzamides Aminophenyl ethers Benzamides Methoxyanilines Methoxybenzenes Dialkylarylamines Benzoyl derivatives Anisoles Phenoxy compounds Pyridinones Aralkylamines Alkyl aryl ethers Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - Phenylpiperidine - Phenylpiperazine - N-arylpiperazine - Aminobenzamide - Aminobenzoic acid or derivatives - Aminophenyl ether - Benzamide - Benzoic acid or derivatives - Methoxyaniline - Tertiary aliphatic/aromatic amine - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Dialkylarylamine - Benzoyl - Methoxybenzene - Anisole - Aralkylamine - Alkyl aryl ether - Pyridinone - Monocyclic benzene moiety - Benzenoid - 1,4-diazinane - Pyridine - Piperazine - Piperidine - Tertiary carboxylic acid amide - Heteroaromatic compound - Tertiary amine - Lactam - Amino acid or derivatives - Carboxamide group - Ether - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Primary amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen 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