Compound Identification
SMILES
O.CC1=CC=C(C=C1)C(=O)C(O)(C(O)=O)C(O)(C(O)=O)C(=O)C1=CC=C(C)C=C1.CCN(CC1CCN(CC1)C(=O)C1CCCCC1)C(C)CC1=CC=C(OC)C=C1
InChIKey
InChIKey=IGFGAJZPVOWWRF-UHFFFAOYSA-N
Formula
C45H60N2O11
Mass
804.978
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 Phenylpropanoic acids Butyrophenones Amphetamines and derivatives Phenylpropanes N-acylpiperidines Anisoles Phenoxy compounds Aryl alkyl ketones Benzoyl derivatives Methoxybenzenes Gamma-keto acids and derivatives Toluenes Aralkylamines Beta-keto acids and derivatives Alkyl aryl ethers Alpha hydroxy acids and derivatives Acyloins Beta-hydroxy ketones Monosaccharides Dicarboxylic acids and derivatives Alpha-hydroxy ketones Tertiary carboxylic acid amides Tertiary alcohols 1,2-diols Amino acids and derivatives Trialkylamines Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides
Molecular Framework
Not available
Substituents
Dibenzylbutane lignan skeleton - Alkyl-phenylketone - 3-phenylpropanoic-acid - Butyrophenone - Amphetamine or derivatives - Phenylpropane - N-acyl-piperidine - Phenylketone - Phenoxy compound - Phenol ether - Anisole - Gamma-keto acid - Methoxybenzene - Benzoyl - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Aralkylamine - Toluene - Beta-keto acid - Acyloin - Alpha-hydroxy acid - Monocyclic benzene moiety - Beta-hydroxy ketone - Dicarboxylic acid or derivatives - Benzenoid - Hydroxy acid - Keto acid - Monosaccharide - Piperidine - Tertiary alcohol - Alpha-hydroxy ketone - Tertiary carboxylic acid amide - Tertiary amine - 1,2-diol - Tertiary aliphatic amine - Ketone - Carboxamide group - Amino acid or derivatives - Ether - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Azacycle - Carbonyl group - Amine - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Alcohol - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - 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