Compound Identification
SMILES
O=C1NC(=O)C(CCOC2=CC=C(C=C2)C#N)S1.OC(=O)C(CC(=O)C1=CC=C(F)C=C1)CC1=CC=CC=C1
InChIKey
InChIKey=NUASJHJIBFYWRB-UHFFFAOYSA-N
Formula
C29H25FN2O6S
Mass
548.59
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
Alkyl-phenylketones Butyrophenones Phenylpropanoic acids Aryl alkyl ketones Benzonitriles Benzoyl derivatives Gamma-keto acids and derivatives Phenol ethers Phenoxy compounds Fluorobenzenes Thiazolidinediones Alkyl aryl ethers Aryl fluorides Dicarboximides Thiocarbamic acid derivatives Carboxylic acids Monocarboxylic acids and derivatives Nitriles Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Not available
Substituents
Norlignan skeleton - Alkyl-phenylketone - 3-phenylpropanoic-acid - Butyrophenone - Phenylketone - Phenol ether - Phenoxy compound - Gamma-keto acid - Aryl ketone - Aryl alkyl ketone - Benzoyl - Benzonitrile - Fluorobenzene - Alkyl aryl ether - Thiazolidinedione - Halobenzene - Benzenoid - Keto acid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Dicarboximide - Thiazolidine - Ketone - Thiocarbamic acid derivative - Carbonitrile - Monocarboxylic acid or derivatives - Nitrile - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Carboxylic acid - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organofluoride - 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