Compound Identification
SMILES
COC1=CC(OC)=C(C=C(NC(=O)C2=CC(C)=C(C)C=C2)C(=O)N2CC3CC(C2)C2=CC=CC(=O)N2C3)C=C1
InChIKey
InChIKey=ZXURODCOMUTQIE-UHFFFAOYSA-N
Formula
C31H33N3O5
Mass
527.621
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
Hippuric acids and derivatives N-acyl-alpha amino acids and derivatives Cinnamic acids and derivatives Alpha amino acid amides Dimethoxybenzenes N-acylpiperidines Benzoyl derivatives o-Xylenes Anisoles Phenoxy compounds Pyridinones Alkyl aryl ethers Heteroaromatic compounds Tertiary carboxylic acid amides Secondary carboxylic acid amides Lactams Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Cinnamic acid or derivatives - Alpha-amino acid or derivatives - Dimethoxybenzene - M-dimethoxybenzene - N-acyl-piperidine - Benzoic acid or derivatives - Benzamide - Phenoxy compound - O-xylene - Xylene - Anisole - Benzoyl - Phenol ether - Methoxybenzene - Pyridinone - Alkyl aryl ether - Piperidine - Pyridine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Lactam - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Ether - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - 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