Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)C(=C/C1=CC=C(Cl)C=C1)\S(=O)(=O)C1=CC=C(C)C=C1
InChIKey
InChIKey=AEOFATKRPJCQNX-PXLXIMEGSA-N
Formula
C23H19ClO4S
Mass
426.91
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 Tosyl compounds Benzenesulfonyl compounds Phenoxy compounds Anisoles Aryl ketones Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Alpha-branched alpha,beta-unsaturated ketones Aryl chlorides Sulfones Acryloyl compounds Enones Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Tosyl compound - Benzenesulfonyl group - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Aryl ketone - Alkyl aryl ether - Chlorobenzene - Halobenzene - Toluene - Benzenoid - Alpha-branched alpha,beta-unsaturated-ketone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Sulfone - Alpha,beta-unsaturated ketone - Sulfonyl - Acryloyl-group - Enone - Ketone - Ether - Hydrocarbon derivative - Organic oxide - Organochloride - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organohalogen 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