Structure Information
Structure

Compound Identification

SMILES

OC1=CC=C(C=C1)C1=COC2=C(C=CC(OCC3=COC(=N3)C3=CC(F)=C(F)C=C3)=C2)C1=O

InChIKey

InChIKey=PCKCUVRYWBKTEA-UHFFFAOYSA-N

Formula

C25H15F2NO5

Mass

447.394

Export to:

JSON SDF CSV

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 - Phenyl-1,3-oxazole - Chromone - 1-benzopyran - Benzopyran - Phenol ether - 2,4-disubstituted 1,3-oxazole - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Fluorobenzene - Alkyl aryl ether - Benzenoid - Pyran - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Oxazole - Organoheterocyclic compound - Ether - Azacycle - Oxacycle - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen 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

Previous Back Next