Compound Identification
SMILES
CC(C)(C)NC(=O)C1=CC=CC=C1C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](CC(=O)OCC1=CC=CC=C1)NS(C)(=O)=O
InChIKey
InChIKey=QIYCAHAECWJXLG-ZGIBFIJWSA-N
Formula
C33H41N3O7S
Mass
623.77
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
Aspartic acid and derivatives Alpha amino acid amides Amphetamines and derivatives Benzyloxycarbonyls Benzamides Benzoyl derivatives Fatty acid esters Organosulfonamides Organic sulfonamides N-acyl amines Aminosulfonyl compounds Secondary carboxylic acid amides Secondary alcohols Carboxylic acid esters Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Norlignan skeleton - Aspartic acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Benzyloxycarbonyl - Benzamide - Benzoic acid or derivatives - Benzoyl - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Fatty amide - Organosulfonic acid amide - N-acyl-amine - Organic sulfonic acid amide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Secondary alcohol - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Alcohol - Organooxygen compound - Organosulfur compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Aromatic homomonocyclic 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