Structure Information
Structure

Compound Identification

SMILES

CC1=C(C(=O)C2=C(O1)C=C(OCC(=O)N1CCC[C@@H]1C(N)=O)C=C2)C1=CC=C(F)C=C1

InChIKey

InChIKey=KHXJJVDQTAAFKX-GOSISDBHSA-N

Formula

C23H21FN2O5

Mass

424.428

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Isoflavonoids

Subclass

Isoflav-2-enes

Intermediate Tree Nodes

Not available

Direct Parent

Isoflavones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isoflavone - Proline or derivatives - Alpha-amino acid amide - Chromone - Alpha-amino acid or derivatives - Benzopyran - 1-benzopyran - N-acylpyrrolidine - Phenol ether - Pyrrolidine-2-carboxamide - Pyrrolidine carboxylic acid or derivatives - Alkyl aryl ether - Halobenzene - Fluorobenzene - Pyranone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyran - Tertiary carboxylic acid amide - Pyrrolidine - Heteroaromatic compound - Carboxamide group - Primary carboxylic acid amide - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organooxygen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom.

External Descriptors

Not available

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