Compound Identification
SMILES
CCN1C2=C(SC3=C1C=CC(=C3)C(\O)=C/C(=O)C(F)(F)F)C=C(C=C2)C(\O)=C\C(=O)C1=CC=CC=C1
InChIKey
InChIKey=PMKXIELNESQYGO-OQRYGUKSSA-N
Formula
C27H20F3NO4S
Mass
511.52
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
-
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
Phenothiazines Alkyldiarylamines Cinnamic acids and derivatives Diarylthioethers Styrenes Aryl ketones Benzoyl derivatives 1,4-thiazines Vinylogous acids Acryloyl compounds Alpha-haloketones Enones Azacyclic compounds Enols Organic oxides Alkyl fluorides Hydrocarbon derivatives Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Retrochalcone - Phenothiazine - Cinnamic acid or derivatives - Alkyldiarylamine - Diarylthioether - Benzothiazine - Aryl thioether - Benzoyl - Styrene - Aryl ketone - Para-thiazine - Monocyclic benzene moiety - Benzenoid - Alpha-haloketone - Acryloyl-group - Enone - Vinylogous acid - Alpha,beta-unsaturated ketone - Tertiary amine - Ketone - Thioether - Azacycle - Organoheterocyclic compound - Enol - Alkyl fluoride - Alkyl halide - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic 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