Compound Identification
SMILES
OC(=O)C(=C(CC1=CC2=C(C=C1)N=CN2)C(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C1=CC2=NSN=C2C=C1
InChIKey
InChIKey=JGERRJMQFZLSQI-UHFFFAOYSA-N
Formula
C31H22N4O4S
Mass
546.6
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 Benzimidazoles Benzothiadiazoles Phenoxy compounds Phenol ethers Aryl ketones Benzoyl derivatives Alkyl aryl ethers Alpha-branched alpha,beta-unsaturated ketones Acryloyl compounds Thiadiazoles Imidazoles Heteroaromatic compounds Enones Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Retro-dihydrochalcone - Retrochalcone - Cinnamic acid or derivatives - Butyrophenone - 2,1,3-benzothiadiazole - Benzimidazole - Phenoxy compound - Benzoyl - Phenol ether - Aryl ketone - Alkyl aryl ether - Monocyclic benzene moiety - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Acryloyl-group - Azole - Heteroaromatic compound - Enone - Imidazole - Alpha,beta-unsaturated ketone - Thiadiazole - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid - 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 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