Compound Identification
SMILES
NC(=O)C[N+]12CC[N+](CCCC3=CC=C(C[C@@H]([C@H](CC4=CC=CC=C4)C(O)=O)C(O)=O)C=C3)(CC1)CC2
InChIKey
InChIKey=PXRHCLAYYXVJSS-HLNXFCLESA-P
Formula
C29H39N3O5
Mass
509.646
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lignans, neolignans and related compounds
- Class Dibenzylbutane lignans
-
Superclass
Lignans, neolignans and related compounds
Kingdom
Organic compounds
Superclass
Lignans, neolignans and related compounds
Class
Dibenzylbutane lignans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Dibenzylbutane lignans
Alternative Parents
Alpha amino acid amides Phenylpropanoic acids Phenylpropylamines N-piperazineacetamides N-alkylpiperazines Aralkylamines Dicarboxylic acids and derivatives Tetraalkylammonium salts Primary carboxylic acid amides Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzylbutane lignan skeleton - Alpha-amino acid amide - 3-phenylpropanoic-acid - Alpha-amino acid or derivatives - N-piperazineacetamide - Phenylpropylamine - Aralkylamine - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Dicarboxylic acid or derivatives - Piperazine - Benzenoid - Quaternary ammonium salt - Tetraalkylammonium salt - Primary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Amine - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dibenzylbutane lignans. These are lignan compounds containing a 2,3-dibenzylbutane moiety.
External Descriptors
Not available