Compound Identification
SMILES
ClC1=CC=CC(\C=C\C(=O)C2=CC=C(C=C2)N2C(SCC2=O)C2=CC3=C(OCO3)C=C2)=C1
InChIKey
InChIKey=BYJVWSHNMUCJLW-ONNFQVAWSA-N
Formula
C25H18ClNO4S
Mass
463.93
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
Cinnamic acids and derivatives Benzodioxoles Styrenes Aryl ketones Benzoyl derivatives Chlorobenzenes Aryl chlorides Thiazolidines Tertiary carboxylic acid amides Acryloyl compounds Enones Lactams Acetals Oxacyclic compounds Azacyclic compounds Dialkylthioethers Aldehydes Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Benzodioxole - Benzoyl - Styrene - Aryl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Enone - Tertiary carboxylic acid amide - Alpha,beta-unsaturated ketone - Thiazolidine - Ketone - Lactam - Carboxamide group - Carboxylic acid derivative - Thioether - Dialkylthioether - Organoheterocyclic compound - Azacycle - Oxacycle - Acetal - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aldehyde - Organic oxygen 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