Compound Identification
SMILES
COC(=O)CC1=CC=C(NC(=S)N2CCCC3=CC4C[C@H](CN5CCCC[C@H]45)[C@H]23)C=C1
InChIKey
InChIKey=HTFIDJSGQLUDQV-QOSLIDRCSA-N
Formula
C25H33N3O2S
Mass
439.62
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 Piperidines Methyl esters Trialkylamines Thioureas Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aloperine skeleton - N-phenylthiourea - Quinolizidine - Monocyclic benzene moiety - Piperidine - Benzenoid - Methyl ester - Amino acid or derivatives - Tertiary aliphatic amine - Thiourea - Tertiary amine - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen 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