Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC=C1C=C(N1C=NC=N1)C(=O)C1=C(Cl)C=C(Cl)C=C1

InChIKey

InChIKey=XANLODOTRDAPOI-UHFFFAOYSA-N

Formula

C18H13Cl2N3O2

Mass

374.22

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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

Retrochalcones

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Retrochalcone - Cinnamic acid or derivatives - Phenol ether - Phenoxy compound - Anisole - Aryl ketone - 1,3-dichlorobenzene - Benzoyl - Methoxybenzene - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl halide - Benzenoid - Monocyclic benzene moiety - Alpha-branched alpha,beta-unsaturated-ketone - Aryl chloride - Acryloyl-group - Azole - Heteroaromatic compound - Vinylogous halide - Alpha,beta-unsaturated ketone - Enone - 1,2,4-triazole - Ketone - Organoheterocyclic compound - Azacycle - Ether - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic 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

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