Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=CC=CC(=C1)C1=C(CC(=O)NC2=C(C=C(F)C=C2)C(F)(F)F)C(=O)OC2=CC(Cl)=C(CN3CCN(CC3)C3=CC=CC=C3)C=C12

InChIKey

InChIKey=ABIGFBOSAZDAHV-UHFFFAOYSA-N

Formula

C36H28ClF4N3O5

Mass

694.08

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Neoflavonoids

Subclass

Neoflavones

Intermediate Tree Nodes

Not available

Direct Parent

Neoflavones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

4-phenylcoumarin - Phenylpiperazine - N-arylpiperazine - Coumarin - Trifluoromethylbenzene - Benzopyran - 1-benzopyran - Benzoic acid - Benzoic acid or derivatives - Anilide - Benzoyl - Tertiary aliphatic/aromatic amine - N-arylamide - Dialkylarylamine - Aniline or substituted anilines - Aralkylamine - Fluorobenzene - N-alkylpiperazine - Halobenzene - Pyranone - 1,4-diazinane - Benzenoid - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Piperazine - Pyran - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Carboxamide group - Tertiary aliphatic amine - Lactone - Secondary carboxylic acid amide - Tertiary amine - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Alkyl fluoride - Carbonyl group - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as neoflavones. These are neoflavonoids with a structure based on the 4-phenylcoumarin skeleton.

External Descriptors

Not available

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