Compound Identification
SMILES
FC1=CC=C(C=C1)C(=O)N\N=C1/C(=O)N(CN2C[C@H]3C[C@H](C2)C2=CC=CC(=O)N2C3)C2=C1C=C(Br)C=C2
InChIKey
InChIKey=YAIKEVIXMKMQOU-HVRZEQJGSA-N
Formula
C27H23BrFN5O3
Mass
564.415
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
4-halobenzoic acids and derivatives Indoles and derivatives Benzoyl derivatives Pyridinones Fluorobenzenes Aryl fluorides Aryl bromides Piperidines Heteroaromatic compounds Tertiary carboxylic acid amides Lactams Azacyclic compounds Organonitrogen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Indole or derivatives - Benzoic acid or derivatives - Benzoyl - Halobenzene - Fluorobenzene - Pyridinone - Aryl bromide - Aryl fluoride - Benzenoid - Pyridine - Piperidine - Monocyclic benzene moiety - Aryl halide - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Lactam - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organobromide - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen 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