Structure Information
Structure

Compound Identification

SMILES

CN(C)C1=NC(OC2=CC3=C(C=C2)C(C)=CC(=O)O3)=NC(NC2=CC=C(N\C=C3/C=CC(=O)C=C3O)C=C2)=N1

InChIKey

InChIKey=DURSHWJUHOYLAS-BMRADRMJSA-N

Formula

C28H24N6O5

Mass

524.537

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Coumarins and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Coumarin - Diaryl ether - Benzopyran - 1-benzopyran - 2,4-diamine-s-triazine - P-quinomethane - Phenol ether - Quinomethane - Dialkylarylamine - Aniline or substituted anilines - Amino-1,3,5-triazine - Aminotriazine - Pyranone - Secondary aliphatic/aromatic amine - N-aliphatic s-triazine - 1,3,5-triazine - Monocyclic benzene moiety - Triazine - Benzenoid - Pyran - Vinylogous acid - Heteroaromatic compound - Cyclic ketone - Ketone - Lactone - Oxacycle - Secondary amine - Enamine - Enol - Ether - Azacycle - Organoheterocyclic compound - Allylamine - Organic oxide - Hydrocarbon derivative - Amine - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).

External Descriptors

Not available

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