Compound Identification
SMILES
COC1=CC=CC(NC(=O)NC2=C(C=CC(=C2)C(=O)NC2CCCC2)N2CC3CC(C2)C2=CC=CC(=O)N2C3)=C1
InChIKey
InChIKey=GCIWBKHPEZURJA-UHFFFAOYSA-N
Formula
C31H35N5O4
Mass
541.652
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
Phenylpiperidines Aminobenzamides N-phenylureas Benzamides Methoxyanilines Anisoles Benzoyl derivatives Phenoxy compounds Methoxybenzenes Dialkylarylamines Aralkylamines Pyridinones Alkyl aryl ethers Heteroaromatic compounds Ureas Secondary carboxylic acid amides Lactams Amino acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - Phenylpiperidine - Aminobenzamide - Aminobenzoic acid or derivatives - N-phenylurea - Benzamide - Benzoic acid or derivatives - Methoxyaniline - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Pyridinone - Aralkylamine - Pyridine - Piperidine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Secondary carboxylic acid amide - Urea - Tertiary amine - Lactam - Amino acid or derivatives - Carboxamide group - Azacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - 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