Compound Identification
SMILES
COC1=CC=C(CC2(CN3CC4CC(C3)C3=CC=CC(=O)N3C4)C(=O)NC(=O)N(CC3=CC=CC=C3)C2=O)C=C1
InChIKey
InChIKey=HUTKOILPIRFWEJ-UHFFFAOYSA-N
Formula
C31H32N4O5
Mass
540.62
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
Barbituric acid derivatives Phenoxy compounds Methoxybenzenes Anisoles Pyridinones Alkyl aryl ethers N-acyl ureas Aralkylamines Piperidines Diazinanes Heteroaromatic compounds Dicarboximides Trialkylamines Amino acids and derivatives Lactams Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - Barbiturate - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - N-acyl urea - Pyridinone - Aralkylamine - Pyrimidone - Ureide - Monocyclic benzene moiety - 1,3-diazinane - Piperidine - Pyridine - Pyrimidine - Benzenoid - Heteroaromatic compound - Dicarboximide - Urea - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carbonic acid derivative - Lactam - Azacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Organopnictogen compound - Organic oxide - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen 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