Compound Identification
SMILES
[Na+].CSC1=CC=C(C=C1)C(=O)C(\CC1=CC(OC(C)C)=C(OC(C)C)C(OC(C)C)=C1)=C(\C([O-])=O)C1=CC2=NSN=C2C=C1
InChIKey
InChIKey=IOXKRYJNOITDOL-KEDMHLQRSA-M
Formula
C33H35N2NaO6S2
Mass
642.76
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 Thiophenol ethers Phenoxy compounds Phenol ethers Aryl ketones Benzoyl derivatives Alkyl aryl ethers Alkylarylthioethers Alpha-branched alpha,beta-unsaturated ketones Acryloyl compounds Thiadiazoles Enones Heteroaromatic compounds Carboxylic acid salts Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Sulfenyl compounds Organic oxides Organic sodium salts Organic zwitterions Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Retrochalcone - Retro-dihydrochalcone - Cinnamic acid or derivatives - Butyrophenone - 2,1,3-benzothiadiazole - Aryl thioether - Phenol ether - Thiophenol ether - Benzoyl - Phenoxy compound - Aryl ketone - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Alpha-branched alpha,beta-unsaturated-ketone - Azole - Enone - Acryloyl-group - Thiadiazole - Alpha,beta-unsaturated ketone - Heteroaromatic compound - Carboxylic acid salt - Ketone - Azacycle - Organic alkali metal salt - Carboxylic acid derivative - Organoheterocyclic compound - Carboxylic acid - Ether - Sulfenyl compound - Monocarboxylic acid or derivatives - Thioether - Hydrocarbon derivative - Organic oxide - Organic salt - Organic zwitterion - Organic nitrogen compound - Organic oxygen compound - Organic sodium salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - 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