Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C(=O)NC(=CC1=C(F)C=CC(Br)=C1)C(=O)N1CC2CC(C1)C1=CC=CC(=O)N1C2
InChIKey
InChIKey=NTKGXDPAVXTLAX-UHFFFAOYSA-N
Formula
C29H27BrFN3O5
Mass
596.453
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 Alpha amino acid amides Cinnamic acids and derivatives Dimethoxybenzenes N-acylpiperidines Anisoles Benzoyl derivatives Phenoxy compounds Bromobenzenes Alkyl aryl ethers Pyridinones Fluorobenzenes Aryl bromides Aryl fluorides Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organobromides Organonitrogen compounds Organofluorides Organic oxides
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 - O-dimethoxybenzene - Dimethoxybenzene - Benzamide - Benzoic acid or derivatives - N-acyl-piperidine - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Bromobenzene - Fluorobenzene - Halobenzene - Pyridinone - Piperidine - Pyridine - Aryl bromide - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Heteroaromatic compound - Secondary carboxylic acid amide - Lactam - Carboxamide group - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organobromide - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organofluoride - Organonitrogen compound - Organooxygen compound - Organohalogen 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