Compound Identification
SMILES
[Cl-].[Cl-].[Cl-].OC(=O)[C@@H](CC1=CC=CC=C1)[C@H](CC1=CC=C(C=C1)C1=CC=C(C[N+]23CC[N+](CCCCC[N+]45CCN(CC4)CC5)(CC2)CC3)C=C1)C(O)=O
InChIKey
InChIKey=VUVVYUXILCQGFY-WHVOJHNISA-M
Formula
C42H57Cl3N4O4
Mass
788.29
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 Phenylmethylamines Benzylamines Aralkylamines N-alkylpiperazines Dicarboxylic acids and derivatives Tetraalkylammonium salts Trialkylamines Amino acids Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic chloride salts Organic oxides Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzylbutane lignan skeleton - Biphenyl - 3-phenylpropanoic-acid - Benzylamine - Phenylmethylamine - Aralkylamine - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Dicarboxylic acid or derivatives - Piperazine - Benzenoid - Tetraalkylammonium salt - Quaternary ammonium salt - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Amino acid - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Carboxylic acid - Organic zwitterion - Hydrocarbon derivative - Organonitrogen compound - Amine - Organooxygen compound - Organic chloride salt - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - 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