Compound Identification
SMILES
OC(=O)[C@@H](CC1=CC=CC=C1)[C@@H](CC1=CC=C(C=C1)C#N)C(O)=O
InChIKey
InChIKey=BAJTVLYMLKNIMN-DLBZAZTESA-N
Formula
C19H17NO4
Mass
323.348
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
Phenylpropanoic acids Benzonitriles Dicarboxylic acids and derivatives Nitriles Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Dibenzylbutane lignan skeleton - 3-phenylpropanoic-acid - Benzonitrile - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Carboxylic acid derivative - Carboxylic acid - Carbonitrile - Nitrile - Organic oxygen compound - Organic oxide - Cyanide - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic 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