Structure Information
Structure

Compound Identification

SMILES

OC1=CC=C(C=C1)C1=C(OC2=C(C=C(OCC3=NOC(=N3)C3=CC(=CC=C3)C(F)(F)F)C=C2)C1=O)C(F)(F)F

InChIKey

InChIKey=RBCQQVFEINHKDD-UHFFFAOYSA-N

Formula

C26H14F6N2O5

Mass

548.397

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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 - Phenyl-1,2,4-oxadiazole - Benzopyran - Trifluoromethylbenzene - 1-benzopyran - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - 1,2,4-oxadiazole - Oxadiazole - Heteroaromatic compound - Azole - Organoheterocyclic compound - Azacycle - Oxacycle - Ether - Alkyl fluoride - Organic oxygen compound - Organohalogen compound - Organofluoride - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Alkyl halide - Organooxygen compound - Organic oxide - 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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