Compound Identification
SMILES
OC(=O)C(F)(F)F.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=XZBHUAXVOKDNLG-WMXJXTQLSA-O
Formula
C31H30F3N2O6
Mass
583.584
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 Alpha-halocarboxylic acids Carboxylic acids Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organic cations
Molecular Framework
Not available
Substituents
Dibenzylbutane lignan skeleton - Biphenyl - 3-phenylpropanoic-acid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - N-substituted imidazole - Benzenoid - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Azole - Alpha-halocarboxylic acid - Imidazole - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Organic oxide - Alkyl halide - Organic oxygen compound - Organohalogen compound - Organofluoride - Carbonyl group - Organic nitrogen compound - Alkyl fluoride - 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