Structure Information
Structure

Compound Identification

SMILES

OC1=C(C=C2OC(=O)C=C(CNC3=CC=CC(=C3)C(F)(F)F)C2=C1)C1=CC=CC=C1

InChIKey

InChIKey=DASIQCNZGQAZHA-UHFFFAOYSA-N

Formula

C23H16F3NO3

Mass

411.38

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Hydroxycoumarins

Intermediate Tree Nodes

Not available

Direct Parent

Hydroxycoumarins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Hydroxycoumarin - Benzopyran - 1-benzopyran - Trifluoromethylbenzene - Aniline or substituted anilines - Phenylalkylamine - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Secondary aliphatic/aromatic amine - Aralkylamine - Benzenoid - Pyran - Monocyclic benzene moiety - Heteroaromatic compound - Lactone - Organoheterocyclic compound - Secondary amine - Oxacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the coumarin skeleton.

External Descriptors

Not available

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