Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC(C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N2CCCCCC2)=C1
InChIKey
InChIKey=RZHKMSDRPNNJMJ-UHFFFAOYSA-N
Formula
C21H22N2O5S
Mass
414.48
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 Azepanes Organosulfonamides Enones Acryloyl compounds Sulfonyls Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Benzenesulfonamide - Nitrobenzene - Benzenesulfonyl group - Benzoyl - Nitroaromatic compound - Aryl ketone - Styrene - Azepane - Benzenoid - Organosulfonic acid amide - Monocyclic benzene moiety - Enone - Sulfonyl - Alpha,beta-unsaturated ketone - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Acryloyl-group - Organic nitro compound - Ketone - C-nitro compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organoheterocyclic compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic salt - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic heteromonocyclic 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