Compound Identification
SMILES
[Na+].[Na+].[Na+].[Na+].CC(C)C1=C(O)C(=O)C(=CNC2=C(C=C(C3=CC=CC=C23)S([O-])(=O)=O)N=NC2=CC=C(C=C2)C2=CC=C(C=C2)N=NC2=C(N)C3=CC=CC=C3C(=C2)S([O-])(=O)=O)C2=C(O)C(=C(C)C=C12)C1=C(C)C=C2C(C(C)C)=C(O)C(=O)C(=CNC3=C(C=C(C4=CC=CC=C34)S([O-])(=O)=O)N=NC3=CC=C(C=C3)C3=CC=C(C=C3)N=NC3=C(N)C4=CC=CC=C4C(=C3)S([O-])(=O)=O)C2=C1O
InChIKey
InChIKey=NOEVAHFAZHXQPK-UHFFFAOYSA-J
Formula
C94H70N12Na4O18S4
Mass
1875.86
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 1-naphthalene sulfonates 1-naphthalene sulfonic acids and derivatives Benzidines 1-sulfo,2-unsubstituted aromatic compounds 1-hydroxy-4-unsubstituted benzenoids Vinylogous amides Sulfonyls Organosulfonic acids Azo compounds Cyclic ketones Enamines Propargyl-type 1,3-dipolar organic compounds Enols Primary amines Organic oxides Organic sodium salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Neolignan skeleton - Cadinane sesquiterpenoid - Sesquiterpenoid - Benzidine - Naphthalene sulfonate - 1-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - Naphthalene sulfonic acid or derivatives - Biphenyl - Naphthalene - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azo compound - Cyclic ketone - Ketone - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Enamine - Enol - Organic alkali metal salt - Organic nitrogen compound - Organic salt - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic sodium salt - Primary amine - Amine - Carbonyl group - Organic oxide - Organic oxygen compound - Organic cation - 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