Compound Identification
SMILES
CC(=O)C1=CC=C(NC(=S)N2CCCC3=C[C@@H]4CC(CN5CCCC[C@H]45)[C@H]23)C=C1
InChIKey
InChIKey=KEECMEYAPMBZSF-FQMOWQLGSA-N
Formula
C24H31N3OS
Mass
409.59
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
-
Class
Lupin alkaloids
- Subclass Aloperine and related alkaloids
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Class
Lupin alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Lupin alkaloids
Subclass
Aloperine and related alkaloids
Intermediate Tree Nodes
Not available
Direct Parent
Aloperine and related alkaloids
Alternative Parents
Alkyl-phenylketones Quinolizidines N-phenylthioureas Acetophenones Benzoyl derivatives Aryl alkyl ketones Piperidines Trialkylamines Thioureas Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aloperine skeleton - Alkyl-phenylketone - N-phenylthiourea - Quinolizidine - Acetophenone - Phenylketone - Benzoyl - Aryl alkyl ketone - Aryl ketone - Monocyclic benzene moiety - Piperidine - Benzenoid - Ketone - Tertiary aliphatic amine - Tertiary amine - Thiourea - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aloperine and related alkaloids. These are lupin Alkaloids with a structure based on the aloperine skeleton. Aloperine is a tetracyclic compound made up of a quinolizidine and a decahydroquinoline joined to form 3,15-diazatetracycloheptadecane.
External Descriptors
Not available