Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)C(=O)C[C@@H]([C@H]1OC(=O)C=C1)C1=CC=C(C=C1)C#N

InChIKey

InChIKey=WSGKZCOHNJDEOR-QUCCMNQESA-N

Formula

C21H17NO4

Mass

347.37

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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 - Monoterpenoid - Monocyclic monoterpenoid - P-cymene - Aromatic monoterpenoid - Phenylketone - Benzonitrile - Methoxybenzene - Benzoyl - Aryl alkyl ketone - Aryl ketone - Phenol ether - Phenoxy compound - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - 2-furanone - Dihydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Ketone - Lactone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Nitrile - Carbonitrile - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Cyanide - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - 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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