Compound Identification
SMILES
CC1=CC=C(C=CC(=O)NC(=S)N2CCCC3=CC4CC(CN5CCCCC45)C23)C=C1
InChIKey
InChIKey=IKCBBTNEHAGGQY-UHFFFAOYSA-N
Formula
C26H33N3OS
Mass
435.63
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
-
Class
Lupin alkaloids
- Subclass Aloperine and related alkaloids
-
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
Cinnamic acids and derivatives Quinolizidines Styrenes Toluenes Piperidines Trialkylamines Thioureas Amino acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aloperine skeleton - Cinnamic acid or derivatives - Quinolizidine - Styrene - Toluene - Monocyclic benzene moiety - Piperidine - Benzenoid - Thiourea - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organosulfur compound - Carbonyl group - Organic nitrogen compound - Amine - Organic oxide - 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