Compound Identification
SMILES
NC(=O)C[N+]12CC[N+](CC3=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=KGSMTCZXROSIBE-VWLLUFBHSA-P
Formula
C33H39N3O5
Mass
557.69
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 Biphenyls and derivatives Phenylpropanoic acids N-piperazineacetamides Phenylmethylamines Benzylamines Aralkylamines N-alkylpiperazines Dicarboxylic acids and derivatives Tetraalkylammonium salts Primary carboxylic acid amides Azacyclic compounds Carboxylic acids Organic oxides Carbonyl compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzylbutane lignan skeleton - Alpha-amino acid amide - Biphenyl - 3-phenylpropanoic-acid - Alpha-amino acid or derivatives - N-piperazineacetamide - Phenylmethylamine - Benzylamine - Aralkylamine - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Dicarboxylic acid or derivatives - Piperazine - Quaternary ammonium salt - Tetraalkylammonium salt - Carboxamide group - Primary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organooxygen compound - Organonitrogen 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