Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)C(=C(C(O)=O)C1=CC2=NSN=C2C=C1)C1=CC=C(OC)C=C1
InChIKey
InChIKey=NINSAFMBJJIVQK-UHFFFAOYSA-N
Formula
C24H18N2O5S
Mass
446.48
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
Stilbenes Cinnamic acids Benzothiadiazoles Phenoxy compounds Methoxybenzenes Anisoles Aryl ketones Benzoyl derivatives Alkyl aryl ethers Alpha-branched alpha,beta-unsaturated ketones Thiadiazoles Acryloyl compounds Heteroaromatic compounds Enones Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Retrochalcone - Stilbene - Cinnamic acid or derivatives - Cinnamic acid - 2,1,3-benzothiadiazole - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Aryl ketone - Alkyl aryl ether - Monocyclic benzene moiety - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Enone - Thiadiazole - Alpha,beta-unsaturated ketone - Heteroaromatic compound - Azole - Acryloyl-group - Ketone - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Ether - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen 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