Compound Identification
SMILES
COC1=CC2=C(C=C1)C=C(\C=C\C(=O)C1=CC(NC(C)=O)=CC=C1)C=C2
InChIKey
InChIKey=YCAZSEDGFVHBTP-YRNVUSSQSA-N
Formula
C22H19NO3
Mass
345.398
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
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
Cinnamic acids and derivatives Naphthalenes Acetanilides N-acetylarylamines Styrenes Benzoyl derivatives Aryl ketones Anisoles Alkyl aryl ethers Enones Acryloyl compounds Acetamides Secondary carboxylic acid amides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Naphthalene - Acetanilide - N-acetylarylamine - Anilide - Benzoyl - Phenol ether - Styrene - N-arylamide - Anisole - Aryl ketone - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Enone - Acryloyl-group - Alpha,beta-unsaturated ketone - Acetamide - Secondary carboxylic acid amide - Carboxamide group - Ketone - Carboxylic acid derivative - Ether - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Aromatic homopolycyclic 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