Compound Identification
SMILES
[Na+].COC1=CC=C(C=C1)C(=O)C(CC1=CC2=C(OCO2)C=C1)=C(C([O-])=O)C1=CC2=NSN=C2C=C1
InChIKey
InChIKey=NYFXVGBSKIOXSC-UHFFFAOYSA-M
Formula
C25H17N2NaO6S
Mass
496.47
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Linear 1,3-diarylpropanoids
-
Subclass
Chalcones and dihydrochalcones
- Level 5 Retro-dihydrochalcones
-
Subclass
Chalcones and dihydrochalcones
-
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 Benzodioxoles Benzothiadiazoles Phenoxy compounds Benzoyl derivatives Methoxybenzenes Anisoles Aryl ketones Alkyl aryl ethers Alpha-branched alpha,beta-unsaturated ketones Heteroaromatic compounds Enones Acryloyl compounds Thiadiazoles Carboxylic acid salts Acetals Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic sodium salts Organic zwitterions Aldehydes Organic oxides Organopnictogen compounds Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Retrochalcone - Retro-dihydrochalcone - Cinnamic acid or derivatives - Butyrophenone - Benzodioxole - 2,1,3-benzothiadiazole - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Aryl ketone - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Alpha-branched alpha,beta-unsaturated-ketone - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Acryloyl-group - Enone - Thiadiazole - Azole - Carboxylic acid salt - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Ether - Organic alkali metal salt - Azacycle - Oxacycle - Carboxylic acid - Acetal - Organic salt - Carbonyl group - Organic oxygen compound - Aldehyde - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic sodium salt - Organic oxide - Organic zwitterion - Hydrocarbon derivative - 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