Compound Identification
SMILES
CN1N=NN=C1S(=O)C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](O)CC1=CC=CC=C1C(=O)NC(C)(C)C
InChIKey
InChIKey=LOWFRBZPNDCWOJ-BBLWWCEQSA-N
Formula
C27H37N7O6S2
Mass
619.76
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
Alpha amino acid amides Amphetamines and derivatives Benzamides Benzoyl derivatives Organic sulfonamides Organosulfonamides Tetrazoles Heteroaromatic compounds Aminosulfonyl compounds Secondary carboxylic acid amides Sulfoxides Secondary alcohols Sulfinyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Norlignan skeleton - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Organic sulfonic acid amide - Organosulfonic acid amide - Azole - Heteroaromatic compound - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Tetrazole - Sulfonyl - Secondary alcohol - Sulfoxide - Secondary carboxylic acid amide - Carboxamide group - Sulfinyl compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organopnictogen compound - Organosulfur compound - Carbonyl group - Organonitrogen compound - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic 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