Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)C(=O)C[C@H]([C@@H]1[C@H](NC2=C(N=C1C1=CC=C(OC)C=C1)C(=O)N(C)C(OC)=N2)C1=CC=CC=C1)C1=CC=CC=C1

InChIKey

InChIKey=JWPABUAPGKXSPU-LEEDBYTESA-N

Formula

C38H36N4O5

Mass

628.729

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