Compound Identification
SMILES
[Na+].COC1=CC(C\C(C(=O)C2=CC(OC)=C(OC)C(OC)=C2)=C(\C([O-])=O)C2=CC3=NSN=C3C=C2)=CC(OC)=C1OC
InChIKey
InChIKey=YGVDKSGRKZWQOE-OYEQKBROSA-M
Formula
C29H27N2NaO9S
Mass
602.59
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 Anisoles Aryl ketones Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Alpha-branched alpha,beta-unsaturated ketones Acryloyl compounds Thiadiazoles Heteroaromatic compounds Enones Carboxylic acid salts Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Organic sodium salts Organonitrogen compounds Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Retrochalcone - Retro-dihydrochalcone - Cinnamic acid or derivatives - Butyrophenone - 2,1,3-benzothiadiazole - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Aryl ketone - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Alpha-branched alpha,beta-unsaturated-ketone - Enone - Heteroaromatic compound - Azole - Thiadiazole - Alpha,beta-unsaturated ketone - Acryloyl-group - Ketone - Carboxylic acid salt - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxide - Organic sodium salt - Organic salt - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Organic oxygen 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