Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C(Br)=CC(=C1)C1C(=COC2=C1C=CC1=C2C=CN1C)C#N

InChIKey

InChIKey=RSKJMQNJEQXXQW-UHFFFAOYSA-N

Formula

C21H17BrN2O3

Mass

425.282

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Neoflavonoids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Neoflavonoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Neoflavonoid skeleton - Benzopyran - N-alkylindole - 1-benzopyran - O-dimethoxybenzene - Dimethoxybenzene - Indole - Indole or derivatives - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Substituted pyrrole - Benzenoid - Aryl bromide - N-methylpyrrole - Aryl halide - Monocyclic benzene moiety - Pyrrole - Heteroaromatic compound - Oxacycle - Organoheterocyclic compound - Azacycle - Nitrile - Carbonitrile - Ether - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Cyanide - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

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

External Descriptors

Not available

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