Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(N)OC2=C(C=CC(O)=C2)C1C1=CC=C(OCC2=CC=CC=C2C#N)C=C1

InChIKey

InChIKey=JVYOUQDORSRZEQ-UHFFFAOYSA-N

Formula

C25H20N2O5

Mass

428.444

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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 - 1-benzopyran - Benzopyran - Phenol ether - Phenoxy compound - Benzonitrile - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Methyl ester - Vinylogous ester - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Ketene acetal or derivatives - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Oxacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organopnictogen compound - Cyanide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen 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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