Structure Information
Structure

Compound Identification

SMILES

COC1=NC2=C(N=C([C@H]([C@@H](CC(=O)C3=CC=CC=C3)C3=CC=CC=C3)C(N2)C2=CC=CC=C2)C2=CC=CC=C2)C(=O)N1C

InChIKey

InChIKey=QRRSMCPVXLEZGY-KHHFXIDFSA-N

Formula

C36H32N4O3

Mass

568.677

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Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Retro-dihydrochalcone - Alkyl-phenylketone - Butyrophenone - Pyrimidodiazepine - Phenylketone - Benzoyl - Aryl alkyl ketone - Aryl ketone - Para-diazepine - Alkyl aryl ether - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Vinylogous amide - Ketimine - Ketone - Lactam - Azacycle - Ether - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Imine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organonitrogen compound - Organooxygen 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

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