Compound Identification
SMILES
CCCNS(=O)(=O)C1=CC=C(C=C1)C(=O)\C=C\C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=IYWLIBDSPYHYQZ-LFYBBSHMSA-N
Formula
C18H18N2O5S
Mass
374.41
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 Benzenesulfonamides Benzenesulfonyl compounds Nitrobenzenes Aryl ketones Styrenes Benzoyl derivatives Nitroaromatic compounds Organosulfonamides Aminosulfonyl compounds Enones Acryloyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Nitrobenzene - Nitroaromatic compound - Benzoyl - Styrene - Aryl ketone - Monocyclic benzene moiety - Organosulfonic acid amide - Benzenoid - Acryloyl-group - Enone - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Alpha,beta-unsaturated ketone - Sulfonyl - Aminosulfonyl compound - Ketone - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic salt - 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