Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C(=O)NC(=S)N1CC2CC(C1)C1=CC=CC(=O)N1C2
InChIKey
InChIKey=DSNBJZDRWMZWQT-UHFFFAOYSA-N
Formula
C21H23N3O4S
Mass
413.49
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
Dimethoxybenzenes Benzoic acids and derivatives Phenoxy compounds Anisoles Benzoyl derivatives Pyridinones Alkyl aryl ethers Piperidines Heteroaromatic compounds Thioureas Lactams Azacyclic compounds Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - Dimethoxybenzene - O-dimethoxybenzene - Benzoic acid or derivatives - Anisole - Benzoyl - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyridinone - Benzenoid - Pyridine - Piperidine - Monocyclic benzene moiety - Heteroaromatic compound - Thiourea - Lactam - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Organosulfur compound - Hydrocarbon derivative - 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