Compound Identification
SMILES
COC1=C(O)C=CC(\C=C\C(=O)C2=CC=C(NC(=O)CSC3=NC4=CC=CC=C4N3)C=C2)=C1
InChIKey
InChIKey=KUWCIKUEXVTDDX-WUXMJOGZSA-N
Formula
C25H21N3O4S
Mass
459.52
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
Cinnamylphenols Hydroxycinnamic acids and derivatives Methoxyphenols Anilides Benzimidazoles Anisoles Aryl ketones Styrenes Benzoyl derivatives Phenoxy compounds Methoxybenzenes N-arylamides Alkylarylthioethers Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Enones Heteroaromatic compounds Imidazoles Acryloyl compounds Secondary carboxylic acid amides Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Retrochalcone - Cinnamylphenol - Cinnamic acid or derivatives - Hydroxycinnamic acid or derivatives - Methoxyphenol - Benzimidazole - Anilide - Phenol ether - Methoxybenzene - Phenoxy compound - Styrene - Aryl ketone - Aryl thioether - N-arylamide - Benzoyl - Anisole - Alkylarylthioether - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Enone - Alpha,beta-unsaturated ketone - Heteroaromatic compound - Azole - Imidazole - Acryloyl-group - Carboxamide group - Secondary carboxylic acid amide - Ketone - Ether - Thioether - Carboxylic acid derivative - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organonitrogen 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