Structure Information
Structure

Compound Identification

SMILES

COC(CC(=O)C1=CC2=C(OCO2)C=C1)C1=C(OC)C=C(OC)C=C1

InChIKey

InChIKey=OPHQFSDAYUGKQN-UHFFFAOYSA-N

Formula

C19H20O6

Mass

344.363

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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

Butyrophenones Dimethoxybenzenes Benzylethers Benzodioxoles Phenoxy compounds Aryl alkyl ketones Anisoles Alkyl aryl ethers Oxacyclic compounds Dialkyl ethers Acetals Organic oxides Hydrocarbon derivatives Aldehydes

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Retro-dihydrochalcone - Butyrophenone - Dimethoxybenzene - M-dimethoxybenzene - Benzodioxole - Benzylether - Methoxybenzene - Anisole - Aryl alkyl ketone - Aryl ketone - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Ketone - Ether - Dialkyl ether - Acetal - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Aldehyde - Organic oxide - Organooxygen compound - Organic oxygen 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

LIPIDMAPS (LMPK12120587) : Chalcones and dihydrochalcones

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