Compound Identification
SMILES
[Na+].[Na+].CCC(C)[C@H](N\C=C1/C(=O)C(O)=C(C(C)C)C2=CC(C)=C(C(O)=C12)C1=C(C)C=C2C(C(C)C)=C(O)C(=O)\C(=C/N[C@@H](C(C)CC)C([O-])=O)C2=C1O)C([O-])=O
InChIKey
InChIKey=RPNZZQHUJFHAQN-HWXPQOLSSA-L
Formula
C42H50N2Na2O10
Mass
788.846
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 Isoleucine and derivatives Naphthalenes L-alpha-amino acids 1-hydroxy-4-unsubstituted benzenoids Dicarboxylic acids and derivatives Vinylogous amides Carboxylic acid salts Cyclic ketones Carboxylic acids Enols Enamines Dialkylamines Hydrocarbon derivatives Organic oxides Organic sodium salts Organic zwitterions
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Neolignan skeleton - Sesquiterpenoid - Cadinane sesquiterpenoid - Isoleucine or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - Naphthalene - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Dicarboxylic acid or derivatives - Benzenoid - Vinylogous amide - Carboxylic acid salt - Ketone - Cyclic ketone - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Enamine - Enol - Organic alkali metal salt - Carbonyl group - Hydrocarbon derivative - Amine - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organic sodium salt - Organic salt - Organonitrogen compound - Organooxygen compound - Organic zwitterion - 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