Structure Information
Structure

Compound Identification

SMILES

COC1=C(\C(NB(F)F)=C\C(=O)C2=CC=C(OCCCCCC[NH2+]CC3=CC(C)=CC(C)=C3)C=C2)C2=CC=CC=C2C=C1

InChIKey

InChIKey=LCQYHTVVVRUQNO-SJIPCVTESA-O

Formula

C35H40BF2N2O3

Mass

585.52

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Linear 1,3-diarylpropanoids

Subclass

Chalcones and dihydrochalcones

Intermediate Tree Nodes

Not available

Direct Parent

Retrochalcones

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Retrochalcone - Cinnamic acid or derivatives - Naphthalene - Phenylmethylamine - Phenoxy compound - Anisole - Styrene - M-xylene - Xylene - Benzoyl - Benzylamine - Aryl ketone - Phenol ether - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Vinylogous amide - Enone - Alpha,beta-unsaturated ketone - Quaternary ammonium salt - Ketone - Ether - Secondary aliphatic amine - Organic metalloid salt - Secondary amine - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.

External Descriptors

Not available

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