Compound Identification
SMILES
CC(C)C(NC(=O)N1CC2CC(C1)C1=CC=CC(=O)N1C2)C(=O)NC1=CC=C(OCC2=CC=CC=C2)C=C1
InChIKey
InChIKey=XLJLOSSTBOTULD-UHFFFAOYSA-N
Formula
C30H34N4O4
Mass
514.626
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
Valine and derivatives N-carbamoyl-alpha amino acids and derivatives Alpha amino acid amides Anilides Piperidinecarboxamides Phenoxy compounds Phenol ethers N-arylamides Alkyl aryl ethers Pyridinones Fatty amides Heteroaromatic compounds Secondary carboxylic acid amides Lactams Ureas Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - N-carbamoyl-alpha-amino acid or derivatives - Valine or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - 1-piperidinecarboxamide - Piperidinecarboxamide - Anilide - Phenoxy compound - N-arylamide - Phenol ether - Pyridinone - Alkyl aryl ether - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Fatty amide - Pyridine - Piperidine - Heteroaromatic compound - Urea - Carboxamide group - Secondary carboxylic acid amide - Lactam - Carbonic acid derivative - Azacycle - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen 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