Compound Identification
SMILES
[Cl-].[Cl-].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=VSPBXAARGBCYLF-BXIRZVIWSA-N
Formula
C29H39Cl2N3O5
Mass
580.55
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 N-piperazineacetamides Phenylpropylamines N-alkylpiperazines Aralkylamines Dicarboxylic acids and derivatives Tetraalkylammonium salts Primary carboxylic acid amides Carboxylic acids Azacyclic compounds Organic zwitterions Organic oxides Organic chloride salts Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzylbutane lignan skeleton - Alpha-amino acid amide - 3-phenylpropanoic-acid - Alpha-amino acid or derivatives - Phenylpropylamine - N-piperazineacetamide - N-alkylpiperazine - Aralkylamine - Monocyclic benzene moiety - Piperazine - Benzenoid - 1,4-diazinane - Dicarboxylic acid or derivatives - Quaternary ammonium salt - Tetraalkylammonium salt - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Organic chloride salt - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic salt - Organonitrogen compound - Organooxygen compound - Organic zwitterion - 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