Structure Information
Structure

Compound Identification

SMILES

O=C(C[C@@H]([C@H]1OC(=O)C=C1)C1=CC=C(C=C1)C#N)C1=CC=CC=C1

InChIKey

InChIKey=CVCBWJSRDBHOPS-MJGOQNOKSA-N

Formula

C20H15NO3

Mass

317.344

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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 heteromonocyclic compounds

Substituents

Retro-dihydrochalcone - Terpene lactone - Alkyl-phenylketone - Butyrophenone - P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Phenylketone - Benzonitrile - Benzoyl - Aryl ketone - Aryl alkyl ketone - Monocyclic benzene moiety - 2-furanone - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Dihydrofuran - Carboxylic acid ester - Lactone - Ketone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic 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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