Compound Identification
SMILES
[Na+].COC1=C(F)C=C(C\C(C(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)=C(/C([O-])=O)C2=CC3=NSN=C3C=C2)C=C1
InChIKey
InChIKey=UWTSAAQGKOLWFT-DHRMVMEWSA-M
Formula
C31H22FN2NaO5S
Mass
576.57
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
-
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 Anisoles Phenoxy compounds Aryl ketones Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Fluorobenzenes Alpha-branched alpha,beta-unsaturated ketones Aryl fluorides Heteroaromatic compounds Acryloyl compounds Enones Thiadiazoles Carboxylic acid salts Monocarboxylic acids and derivatives Organic metal halides Carboxylic acids Azacyclic compounds Organonitrogen compounds Organofluorides Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Retrochalcone - Retro-dihydrochalcone - Cinnamic acid or derivatives - Butyrophenone - 2,1,3-benzothiadiazole - Phenoxy compound - Anisole - Methoxybenzene - Aryl ketone - Benzoyl - Phenol ether - Halobenzene - Alkyl aryl ether - Fluorobenzene - Alpha-branched alpha,beta-unsaturated-ketone - Monocyclic benzene moiety - Benzenoid - Aryl halide - Aryl fluoride - Acryloyl-group - Heteroaromatic compound - Thiadiazole - Alpha,beta-unsaturated ketone - Azole - Enone - Ketone - Carboxylic acid salt - Organic metal halide - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxide - Carbonyl group - Organic salt - Organic sodium salt - Organic zwitterion - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organofluoride - Organohalogen compound - Organic nitrogen 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