Compound Identification
SMILES
[Na].[Na].OC1=C(Br)C=C(C=C1)C1=COC2=C(Br)C=C(\C=C(/OS(O)(=O)=O)\C(\OS(O)(=O)=O)=C\C3=CC(Br)=C4OC=C(C4=C3)C3=CC(Br)=C(O)C=C3)C=C12
InChIKey
InChIKey=YAPPUWMNUAFRLS-WLADAGMQSA-N
Formula
C32H18Br4Na2O12S2
Mass
1024.2
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
Phenylbenzofurans O-bromophenols Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Sulfuric acid monoesters Aryl bromides Heteroaromatic compounds Furans Oxacyclic compounds Organic alkali metal salts Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Norlignan skeleton - Phenylbenzofuran - Benzofuran - 2-bromophenol - 2-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Phenol - Bromobenzene - Sulfuric acid ester - Sulfate-ester - Sulfuric acid monoester - Monocyclic benzene moiety - Aryl bromide - Benzenoid - Aryl halide - Organic sulfuric acid or derivatives - Furan - Heteroaromatic compound - Oxacycle - Organic alkali metal salt - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic 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