Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=C1)C(=O)CC(C1C(=O)NC(=S)NC1=O)C1=CC=CC=C1
InChIKey
InChIKey=VMGYCUKCSCUHPE-UHFFFAOYSA-N
Formula
C19H15N3O5S
Mass
397.41
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 Retro-dihydrochalcones
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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
Retro-dihydrochalcones
Alternative Parents
Alkyl-phenylketones Butyrophenones Thiobarbituric acid derivatives Nitrobenzenes Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds 1,3-dicarbonyl compounds Diazinanes Thioureas Carboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Retro-dihydrochalcone - Alkyl-phenylketone - Butyrophenone - Nitrobenzene - Thiobarbiturate - Phenylketone - Benzoyl - Nitroaromatic compound - Aryl alkyl ketone - Aryl ketone - 1,3-diazinane - Monocyclic benzene moiety - 1,3-dicarbonyl compound - Benzenoid - Ketone - C-nitro compound - Organic nitro compound - Thiourea - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic salt - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as retro-dihydrochalcones. These are a form of normal dihydrochalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
External Descriptors
Not available