Compound Identification
SMILES
OC(=O)[C@@H](CC1=CC=CC=C1)[C@H](CC1=CC=C(C=C1)C1=CC=C(C[N+]23CC[N+](CC(=O)C4=CC(O)=C(O)C=C4)(CC2)CC3)C=C1)C(O)=O
InChIKey
InChIKey=GUHITMIXGMXUND-BKEGCEBRSA-P
Formula
C39H42N2O7
Mass
650.771
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
Alkyl-phenylketones Biphenyls and derivatives Phenylpropanoic acids Phenylmethylamines Catechols Benzylamines Benzoyl derivatives Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids N-alkylpiperazines Aralkylamines Dicarboxylic acids and derivatives Tetraalkylammonium salts Alpha-amino ketones Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzylbutane lignan skeleton - Alkyl-phenylketone - Biphenyl - 3-phenylpropanoic-acid - Phenylketone - Benzoyl - Benzylamine - Catechol - Phenylmethylamine - Aryl ketone - Aryl alkyl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - N-alkylpiperazine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Piperazine - 1,4-diazinane - Dicarboxylic acid or derivatives - Quaternary ammonium salt - Alpha-aminoketone - Tetraalkylammonium salt - Ketone - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Organonitrogen compound - 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