Structure Information
Structure

Compound Identification

SMILES

O=C1OC2=C(C=C(C=C2)C2=CSC=C2)C(NC2CCN(CC2)\C=C\C2=CC=CC=C2)=C1

InChIKey

InChIKey=NGAOGWXEQWQJMZ-XYOKQWHBSA-N

Formula

C26H24N2O2S

Mass

428.55

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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 - Benzopyran - 1-benzopyran - Styrene - 4-aminopiperidine - Pyranone - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Piperidine - Pyran - Benzenoid - Heteroaromatic compound - Vinylogous amide - Thiophene - Lactone - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Oxacycle - Enamine - Secondary amine - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen 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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