Compound Identification
SMILES
CCOC1=CC=CC=C1N1CCN(CC1)C(=O)CC(=O)CN1CC2CC(C1)C1=CC=CC(=O)N1C2
InChIKey
InChIKey=IVQFQGDBWCBXFQ-UHFFFAOYSA-N
Formula
C27H34N4O4
Mass
478.593
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
N-arylpiperazines Phenylpiperazines Aminophenyl ethers Aniline and substituted anilines Dialkylarylamines Phenoxy compounds Alkyl aryl ethers Aralkylamines Pyridinones 1,3-dicarbonyl compounds Piperidines Tertiary carboxylic acid amides Heteroaromatic compounds Alpha-amino ketones Lactams Trialkylamines Amino acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - Phenylpiperazine - N-arylpiperazine - Aminophenyl ether - Phenoxy compound - Phenol ether - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Alkyl aryl ether - Pyridinone - Aralkylamine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Piperidine - Pyridine - 1,3-dicarbonyl compound - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Alpha-aminoketone - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Carboxamide group - Ketone - Lactam - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Amine - Organic oxygen compound - Organooxygen compound - Organonitrogen 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