Compound Identification
SMILES
O=C(\C=C\C1=CC=C(C=C1)N1C=CN=C1)C1=CC2=C(OCC(=O)N2)C=C1
InChIKey
InChIKey=VTHRSNYPORQJKR-XVNBXDOJSA-N
Formula
C20H15N3O3
Mass
345.358
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
Cinnamic acids and derivatives Phenylimidazoles Benzoxazinones Benzomorpholines Styrenes Aryl ketones Alkyl aryl ethers N-substituted imidazoles Acryloyl compounds Heteroaromatic compounds Enones Secondary carboxylic acid amides Lactams Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - 1-phenylimidazole - Benzoxazinone - Benzoxazine - Benzomorpholine - Aryl ketone - Styrene - Alkyl aryl ether - N-substituted imidazole - Monocyclic benzene moiety - Benzenoid - Oxazinane - Alpha,beta-unsaturated ketone - Azole - Acryloyl-group - Enone - Imidazole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Ketone - Lactam - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Oxacycle - Ether - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - 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