Compound Identification
SMILES
[Cl-].[Cl-].OCC[N+]12CC[N+](CCCC3=CC=C(C=C3)C3=CC=C(C[C@@H]([C@H](CC4=CC=CC=C4)C(O)=O)C(O)=O)C=C3)(CC1)CC2
InChIKey
InChIKey=JOQYPTXABKLCBX-OFNNRZCZSA-N
Formula
C35H44Cl2N2O5
Mass
643.65
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
Biphenyls and derivatives Phenylpropanoic acids Phenylpropylamines Aralkylamines N-alkylpiperazines Dicarboxylic acids and derivatives Tetraalkylammonium salts 1,2-aminoalcohols Carboxylic acids Azacyclic compounds Organic oxides Organic chloride salts Hydrocarbon derivatives Carbonyl compounds Organic zwitterions Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzylbutane lignan skeleton - Biphenyl - 3-phenylpropanoic-acid - Phenylpropylamine - Aralkylamine - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Dicarboxylic acid or derivatives - Benzenoid - Piperazine - Tetraalkylammonium salt - Quaternary ammonium salt - 1,2-aminoalcohol - Alkanolamine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic chloride salt - Amine - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic salt - Organic zwitterion - Primary alcohol - 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