Compound Identification
SMILES
CC1=CC2=C(C(O)=C1)C(C)=C(CC(=O)N1CCCC3=C[C@@H]4C[C@@H](C[NH+]5CCCC[C@H]45)[C@H]13)C(=O)O2
InChIKey
InChIKey=YDOSEDYDFVVGHF-OBRGVAJMSA-O
Formula
C28H35N2O4
Mass
463.597
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
Hydroxycoumarins Quinolizidines 1-benzopyrans N-acylpiperidines Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Tertiary carboxylic acid amides Quaternary ammonium salts Heteroaromatic compounds Trialkylamines Lactones Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aloperine skeleton - Hydroxycoumarin - Coumarin - Benzopyran - 1-benzopyran - Quinolizidine - N-acyl-piperidine - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Piperidine - Benzenoid - Pyran - Heteroaromatic compound - Quaternary ammonium salt - Tertiary carboxylic acid amide - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Lactone - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid derivative - Amine - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organic oxygen 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