Compound Identification
SMILES
OC(=O)C(CC1=CC=CC=C1)C(F)C(=O)C1=CC2=C(SC3=CC=CC=C23)C=C1
InChIKey
InChIKey=FTKKAIYYHNTWKA-UHFFFAOYSA-N
Formula
C23H17FO3S
Mass
392.44
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
Dibenzothiophenes Phenylpropanoic acids Butyrophenones 1-benzothiophenes Aryl alkyl ketones Gamma-keto acids and derivatives Halogenated fatty acids Thiophenes Alpha-haloketones Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organic oxides Organofluorides Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Norlignan skeleton - Dibenzothiophene - 3-phenylpropanoic-acid - Butyrophenone - Benzothiophene - 1-benzothiophene - Gamma-keto acid - Aryl ketone - Aryl alkyl ketone - Halogenated fatty acid - Benzenoid - Monocyclic benzene moiety - Keto acid - Fatty acyl - Thiophene - Alpha-haloketone - Heteroaromatic compound - Ketone - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Alkyl halide - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxygen 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