Compound Identification
SMILES
C[N+]1=CN(CC2=CC=C(C=C2)C2=CC=C(C[C@@H]([C@H](CC3=CC=CC=C3)C(O)=O)C(O)=O)C=C2)C=C1
InChIKey
InChIKey=NKYHAYAEOITPLR-SVBPBHIXSA-O
Formula
C29H29N2O4
Mass
469.56
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 N-substituted imidazoles Dicarboxylic acids and derivatives Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Dibenzylbutane lignan skeleton - Biphenyl - 3-phenylpropanoic-acid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic heteromonocyclic 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