Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C(C=C1)N1COC2=C(Cl)C=C3C(OC(=O)C=C3C3=CC=CC=C3)=C2C1

InChIKey

InChIKey=BQMBULFBHJASBX-UHFFFAOYSA-N

Formula

C25H20ClNO5

Mass

449.89

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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 - Coumarin - Benzopyran - Benzoxazine - 1-benzopyran - Dimethoxybenzene - O-dimethoxybenzene - Methoxyaniline - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Anisole - Phenol ether - Phenoxy compound - Pyranone - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Lactone - Azacycle - Oxacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Amine - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - 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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