Compound Identification
SMILES
CC1=CC=C(SC2=C(C=C(C=CC(=O)C3=CC4=C(SC5=CC=CC=C5N4)C=C3)C=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=ATALHQVQTFWYCP-UHFFFAOYSA-N
Formula
C28H20N2O3S2
Mass
496.6
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
Phenothiazines Cinnamic acids and derivatives Diarylthioethers Nitrobenzenes Thiophenol ethers Styrenes Aryl ketones Nitroaromatic compounds Toluenes 1,4-thiazines Primary aromatic amines Acryloyl compounds Enones Sulfenyl compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Retrochalcone - Phenothiazine - Cinnamic acid or derivatives - Diarylthioether - Benzothiazine - Nitrobenzene - Aryl thioether - Aryl ketone - Nitroaromatic compound - Styrene - Thiophenol ether - Toluene - Monocyclic benzene moiety - Para-thiazine - Primary aromatic amine - Benzenoid - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Organic nitro compound - Ketone - C-nitro compound - Thioether - Allyl-type 1,3-dipolar organic compound - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Organic oxoazanium - Organosulfur compound - Organic oxide - Amine - Organonitrogen compound - Organic salt - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic zwitterion - 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