Compound Identification
SMILES
CSC1=CC=C(\C=C\C(=O)C2=CC=C(NC(=O)[C@H](C(C)C)C3=CC=C(OC(F)F)C=C3)C=C2)C=C1
InChIKey
InChIKey=KOPHVTRCEBNGAX-QHBWSUAYSA-N
Formula
C28H27F2NO3S
Mass
495.58
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Linear 1,3-diarylpropanoids
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Subclass
Chalcones and dihydrochalcones
- Level 5 Retrochalcones
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Subclass
Chalcones and dihydrochalcones
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Class
Linear 1,3-diarylpropanoids
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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 Phenylacetamides Anilides Phenylpropanes Thiophenol ethers Aryl ketones Benzoyl derivatives N-arylamides Phenol ethers Phenoxy compounds Styrenes Alkylarylthioethers Fatty amides Enones Acryloyl compounds Secondary carboxylic acid amides Sulfenyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Phenylacetamide - Anilide - Phenylpropane - Benzoyl - Phenoxy compound - Phenol ether - Aryl ketone - Styrene - N-arylamide - Thiophenol ether - Aryl thioether - Alkylarylthioether - Fatty amide - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Secondary carboxylic acid amide - Carboxamide group - Ketone - Thioether - Sulfenyl compound - Carboxylic acid derivative - Alkyl halide - Organohalogen compound - Hydrocarbon derivative - Alkyl fluoride - Organic oxide - Organofluoride - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - 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