Compound Identification
SMILES
CCCCCSC1=CC=C(C=CC(=O)C2=C(F)C=CC(F)=C2)C=C1
InChIKey
InChIKey=LGUSHEVODJDHTH-UHFFFAOYSA-N
Formula
C20H20F2OS
Mass
346.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Linear 1,3-diarylpropanoids
-
Subclass
Chalcones and dihydrochalcones
- Level 5 Retrochalcones
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Subclass
Chalcones and dihydrochalcones
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Class
Linear 1,3-diarylpropanoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Linear 1,3-diarylpropanoids
Subclass
Chalcones and dihydrochalcones
Intermediate Tree Nodes
Not available
Direct Parent
Retrochalcones
Alternative Parents
Cinnamic acids and derivatives Thiophenol ethers Styrenes Benzoyl derivatives Aryl ketones Fluorobenzenes Alkylarylthioethers Aryl fluorides Vinylogous halides Enones Acryloyl compounds Sulfenyl compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Aryl thioether - Benzoyl - Aryl ketone - Thiophenol ether - Styrene - Alkylarylthioether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Vinylogous halide - Alpha,beta-unsaturated ketone - Enone - Ketone - Thioether - Sulfenyl compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organooxygen compound - Organosulfur compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
External Descriptors
Not available