Structure Information
Structure

Compound Identification

SMILES

O.[Cl-].O=C(N1CC[NH+](CC2COc3ccccc3O2)CC1)c1cc2ccccc2oc1=O

InChIKey

InChIKey=JGTMQJUZSAJLJH-UHFFFAOYSA-N

Formula

C23H25ClN2O6

Mass

460.91

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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 - Benzo-1,4-dioxane - Benzodioxane - Benzopyran - 1-benzopyran - Alkyl aryl ether - Pyranone - N-alkylpiperazine - 1,4-diazinane - Para-dioxin - Piperazine - Pyran - Benzenoid - Heteroaromatic compound - Quaternary ammonium salt - Tertiary carboxylic acid amide - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Lactone - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Oxacycle - Azacycle - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organic oxide - Organopnictogen compound - Organic chloride salt - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic cation - 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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