Compound Identification
SMILES
CC1=CC=C(SC2=C(C=C(\C=C\C(=O)C3=CC=C(NS(=O)(=O)C4=CC=C(C)C=C4)C=C3)C=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=GABVIRQCRAFVGR-REZTVBANSA-N
Formula
C29H24N2O5S2
Mass
544.64
Taxonomic Classification
Taxonomy Tree
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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 Diarylthioethers P-toluenesulfonamides Sulfanilides Benzenesulfonamides Benzenesulfonyl compounds Nitrobenzenes Styrenes Aryl ketones Benzoyl derivatives Thiophenol ethers Nitroaromatic compounds Organosulfonamides Aminosulfonyl compounds Enones Acryloyl compounds Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organonitrogen compounds Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - P-toluenesulfonamide - Diarylthioether - Tosyl compound - Sulfanilide - Benzenesulfonamide - Benzenesulfonyl group - Nitrobenzene - Aryl thioether - Thiophenol ether - Aryl ketone - Nitroaromatic compound - Styrene - Benzoyl - Toluene - Benzenoid - Monocyclic benzene moiety - Organosulfonic acid amide - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Ketone - C-nitro compound - Organic nitro compound - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Thioether - Organic 1,3-dipolar compound - Organic oxoazanium - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Organic nitrogen compound - Organic cation - 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