Compound Identification
SMILES
COC(=O)C(CC(=O)C1=CC(=CC=C1)N(CC1=CC2=CC=CC=C2C=C1)S(=O)(=O)C1=CC2=CC=CC=C2C=C1)CC1=CC=CC=C1
InChIKey
InChIKey=NHYWCIUPMJNCLY-UHFFFAOYSA-N
Formula
C39H33NO5S
Mass
627.76
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
2-naphthalene sulfonamides 2-naphthalene sulfonic acids and derivatives Alkyl-phenylketones Butyrophenones Sulfanilides Aryl alkyl ketones Benzoyl derivatives Gamma-keto acids and derivatives Fatty acid esters Organosulfonamides Aminosulfonyl compounds Methyl esters Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Norlignan skeleton - Naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonic acid or derivatives - Naphthalene sulfonamide - 2-naphthalene sulfonamide - Alkyl-phenylketone - Butyrophenone - Naphthalene - Sulfanilide - Phenylketone - Benzoyl - Gamma-keto acid - Aryl alkyl ketone - Aryl ketone - Fatty acid ester - Monocyclic benzene moiety - Keto acid - Fatty acyl - Benzenoid - Organosulfonic acid amide - Methyl ester - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Organooxygen 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