Structure Information
Structure

Compound Identification

SMILES

Cl.CNCC1=CC=CC=C1.CCOC1=CC2=C(C=C1)C(=CC(C)(C)O2)C1=CC(=CC=C1)C(F)(F)F

InChIKey

InChIKey=CCGNFDQXUMYNAZ-UHFFFAOYSA-N

Formula

C28H31ClF3NO2

Mass

506.01

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Neoflavonoids

Subclass

Neoflavenes

Intermediate Tree Nodes

Not available

Direct Parent

Neoflavenes

Alternative Parents

Molecular Framework

Not available

Substituents

Neoflavene - 2,2-dimethyl-1-benzopyran - Trifluoromethylbenzene - Benzopyran - 1-benzopyran - Benzylamine - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Quaternary ammonium salt - Oxacycle - Secondary aliphatic amine - Ether - Organoheterocyclic compound - Secondary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic chloride salt - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Hydrochloride - Amine - Organic salt - Organic cation - Aromatic heteropolycyclic compound

Description

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

External Descriptors

Not available

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