Compound Identification
SMILES
[Na+].CC(C)OC1=CC=C(C=C1)C(=O)C(\CC1=CC=C(C)C=C1)=C(\C([O-])=O)C1=CC2=NSN=C2C=C1
InChIKey
InChIKey=CPRSQIXLGDBCFU-OSMRDGEFSA-M
Formula
C27H23N2NaO4S
Mass
494.54
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
Retrochalcones Cinnamic acids and derivatives Butyrophenones Benzothiadiazoles Phenoxy compounds Phenol ethers Aryl ketones Benzoyl derivatives Toluenes Alkyl aryl ethers Alpha-branched alpha,beta-unsaturated ketones Acryloyl compounds Thiadiazoles Enones Heteroaromatic compounds Carboxylic acid salts Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Organic oxides Organic sodium salts Hydrocarbon derivatives Organonitrogen compounds Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Retrochalcone - Retro-dihydrochalcone - Cinnamic acid or derivatives - Butyrophenone - 2,1,3-benzothiadiazole - Phenoxy compound - Phenol ether - Benzoyl - Aryl ketone - Toluene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Alpha-branched alpha,beta-unsaturated-ketone - Acryloyl-group - Heteroaromatic compound - Thiadiazole - Enone - Alpha,beta-unsaturated ketone - Azole - Carboxylic acid salt - Ketone - Azacycle - Monocarboxylic acid or derivatives - Organic alkali metal salt - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Carboxylic acid - Organic zwitterion - Organic nitrogen compound - Organic salt - Carbonyl group - Organic sodium salt - Organic oxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic 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