Compound Identification
SMILES
O.OC(=O)C(O)(C(=O)C1=CC=CC=C1)C(O)(C(O)=O)C(=O)C1=CC=CC=C1.CCCN(C(C)CC1=CC=C(OCC(F)(F)F)C=C1)C(C1CCNCC1)S(C)(=O)=O
InChIKey
InChIKey=QFAFTSCDZBQOHD-UHFFFAOYSA-N
Formula
C39H49F3N2O12S
Mass
826.88
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 Butyrophenones Phenylpropanoic acids Amphetamines and derivatives Phenylpropanes Aryl alkyl ketones Benzoyl derivatives Gamma-keto acids and derivatives Phenol ethers Phenoxy compounds Alkyl aryl ethers Sugar acids and derivatives Beta-keto acids and derivatives Monosaccharides Dicarboxylic acids and derivatives Alpha hydroxy acids and derivatives Acyloins Beta-hydroxy ketones Piperidines Tertiary alcohols Alpha-hydroxy ketones Sulfones 1,2-diols Dialkylamines Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Alkyl fluorides Organopnictogen compounds Organofluorides Organic oxides
Molecular Framework
Not available
Substituents
Dibenzylbutane lignan skeleton - Alkyl-phenylketone - Butyrophenone - 3-phenylpropanoic-acid - Amphetamine or derivatives - Phenylketone - Phenylpropane - Phenoxy compound - Benzoyl - Gamma-keto acid - Aryl alkyl ketone - Aryl ketone - Phenol ether - Alkyl aryl ether - Beta-keto acid - Sugar acid - Acyloin - Alpha-hydroxy acid - Monocyclic benzene moiety - Beta-hydroxy ketone - Dicarboxylic acid or derivatives - Hydroxy acid - Keto acid - Monosaccharide - Benzenoid - Piperidine - Sulfone - Alpha-hydroxy ketone - Sulfonyl - Tertiary alcohol - Ketone - 1,2-diol - Secondary amine - Organoheterocyclic compound - Ether - Azacycle - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Alcohol - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Carbonyl group - Alkyl fluoride - Organic oxygen compound - Alkyl halide - 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