Compound Identification
SMILES
COC1=C(CC2(CN3C[C@@H]4C[C@H](C3)C3=CC=CC(=O)N3C4)C(=O)N(C)C(=S)N(C)C2=O)C2=CC=CC=C2C=C1
InChIKey
InChIKey=MJSDHWVSIRVBBF-PZJWPPBQSA-N
Formula
C30H32N4O4S
Mass
544.67
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
Naphthalenes Thiobarbituric acid derivatives Anisoles Pyridinones Alkyl aryl ethers Aralkylamines Piperidines Diazinanes Heteroaromatic compounds Trialkylamines Thioureas Lactams Amino acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - Naphthalene - Thiobarbiturate - Anisole - Phenol ether - Alkyl aryl ether - Pyridinone - Aralkylamine - 1,3-diazinane - Piperidine - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary aliphatic amine - Thiourea - Lactam - Tertiary amine - Amino acid or derivatives - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organosulfur compound - Amine - 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