Structure Information
Structure

Compound Identification

SMILES

CC(NC1=NC=NC2=C1NC=N2)C1=C(C(=O)C2=C(O1)C=CC(F)=C2)C1=CC=CC=C1

InChIKey

InChIKey=YUSZXLCDUDCZGL-UHFFFAOYSA-N

Formula

C22H16FN5O2

Mass

401.401

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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 - Chromone - 6-alkylaminopurine - 6-aminopurine - Benzopyran - 1-benzopyran - Imidazopyrimidine - Purine - Aminopyrimidine - Secondary aliphatic/aromatic amine - Pyranone - Imidolactam - Benzenoid - Aryl fluoride - Aryl halide - Pyrimidine - Pyran - Monocyclic benzene moiety - Heteroaromatic compound - Azole - Imidazole - Oxacycle - Organoheterocyclic compound - Secondary amine - Azacycle - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Amine - Organofluoride - Organonitrogen compound - Organooxygen 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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