Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)NC1=CC=CC(\C=C\C(=O)C2=CC=C(OCC#N)C=C2)=C1
InChIKey
InChIKey=UOAJRSJEBSSYER-LHHJGKSTSA-N
Formula
C25H20N2O4
Mass
412.445
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
-
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
Benzanilides Cinnamic acids and derivatives Benzamides Styrenes Phenoxy compounds Anisoles Aryl ketones Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Acryloyl compounds Enones Secondary carboxylic acid amides Nitriles Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Retrochalcone - Benzanilide - Aromatic anilide - Cinnamic acid or derivatives - Benzoic acid or derivatives - Benzamide - Methoxybenzene - Aryl ketone - Phenoxy compound - Styrene - Phenol ether - Benzoyl - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Secondary carboxylic acid amide - Carboxamide group - Ketone - Nitrile - Carboxylic acid derivative - Ether - Carbonitrile - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Aromatic homomonocyclic 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