Compound Identification
SMILES
COC1=CC=C(C\C(C(=O)C2=CC=C(OC)C=C2)=C(/C(O)=O)C2=CC3=NSN=C3C=C2)S1
InChIKey
InChIKey=DKJNAAUUFQGFKC-HEHNFIMWSA-N
Formula
C23H18N2O5S2
Mass
466.53
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 Retrochalcones
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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
Retrochalcones
Alternative Parents
Cinnamic acids and derivatives Butyrophenones Benzothiadiazoles Anisoles Aryl ketones Benzoyl derivatives Phenoxy compounds Methoxybenzenes Alkyl aryl ethers 2,5-disubstituted thiophenes Alpha-branched alpha,beta-unsaturated ketones Enones Thiadiazoles Acryloyl compounds Heteroaromatic compounds Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Butyrophenone - 2,1,3-benzothiadiazole - Benzoyl - Phenoxy compound - Phenol ether - Anisole - Aryl ketone - Methoxybenzene - Alkyl aryl ether - 2,5-disubstituted thiophene - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Enone - Alpha,beta-unsaturated ketone - Acryloyl-group - Thiadiazole - Thiophene - Ketone - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Azacycle - Ether - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
External Descriptors
Not available