Compound Identification
SMILES
CCOC(=O)C1=CC=C(NC(=S)N2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@H]23)C=C1
InChIKey
InChIKey=FXFWLFLEWLWTAF-KKSHJYNMSA-O
Formula
C25H34N3O2S
Mass
440.63
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
Quinolizidines N-phenylthioureas Benzoic acid esters Benzoyl derivatives Piperidines Quaternary ammonium salts Trialkylamines Thioureas Carboxylic acid esters Amino acids and derivatives Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aloperine skeleton - Benzoate ester - N-phenylthiourea - Quinolizidine - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Piperidine - Benzenoid - Quaternary ammonium salt - Thiourea - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Amine - Organosulfur compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic cation - 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