Compound Identification
SMILES
CC(C)C1=C(O)C(=O)\C(=C\NC2=CC=C(C=C2)C(=O)NCC(O)=O)C2=C(O)C(=C(C)C=C12)C1=C(C)C=C2C(C(C)C)=C(O)C(=O)\C(=C/NC3=CC=C(C=C3)C(=O)NCC(O)=O)C2=C1O
InChIKey
InChIKey=VUZNELYMXWHLTQ-XEUGNBHESA-N
Formula
C48H46N4O12
Mass
870.912
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Lignans, neolignans and related compounds
Kingdom
Organic compounds
Superclass
Lignans, neolignans and related compounds
Class
Not available
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Lignans, neolignans and related compounds
Alternative Parents
Sesquiterpenoids N-acyl-alpha amino acids Hippuric acids Naphthalenes Aminobenzamides Aniline and substituted anilines Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids Dicarboxylic acids and derivatives Vinylogous amides Secondary carboxylic acid amides Cyclic ketones Enols Enamines Carboxylic acids Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Neolignan skeleton - Cadinane sesquiterpenoid - Sesquiterpenoid - Hippuric acid or derivatives - Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Alpha-amino acid or derivatives - Naphthalene - Benzamide - Benzoic acid or derivatives - Aniline or substituted anilines - Benzoyl - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Vinylogous amide - Cyclic ketone - Ketone - Secondary carboxylic acid amide - Carboxamide group - Enol - Enamine - Carboxylic acid - Carboxylic acid derivative - Amine - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as lignans, neolignans and related compounds. These are plant products of low molecular weight formed primarily from oxidative coupling of two p-propylphenol moieties. They can also be described as micromolecules with two phenylpropanoid units coupled together. They can be attached in various manners, like C5-C5', C8-C8'. Most known natural lignans are oxidized at C9 and C9´ and, based upon the way in which oxygen is incorporated into the skeleton and on the cyclization patterns, a wide range of lignans of very different structural types can be formed.
External Descriptors
Not available