Structure Information
Structure

Compound Identification

SMILES

COC1=C2C=C(C(=O)OC2=CC2=C1C(=O)C=C(C)O2)C1=CC=C(F)C=C1

InChIKey

InChIKey=CUADJKHAEPYEST-UHFFFAOYSA-N

Formula

C20H13FO5

Mass

352.317

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Isoflavonoids

Subclass

Isoflav-3-enes

Intermediate Tree Nodes

Not available

Direct Parent

Isoflav-3-enones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isoflav-3-enone skeleton - Linear pyranocoumarin - Pyranocoumarin - Pyranochromene - Chromone - Coumarin - Benzopyran - 1-benzopyran - Anisole - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Pyranone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyran - Vinylogous ester - Heteroaromatic compound - Lactone - Organoheterocyclic compound - Ether - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isoflav-3-enones. These are flavonoids with a structure based on an isoflav-3-ene skeleton bearing an oxo-group at position C2.

External Descriptors

Not available

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