Structure Information
Structure

Compound Identification

SMILES

Cl.CCCCCCC(C)C1=CC2=C(C(O)=C1)C(CC)(CC(=O)O2)C1=CC=CC=N1

InChIKey

InChIKey=VJSTWVBQKPEAAO-UHFFFAOYSA-N

Formula

C24H32ClNO3

Mass

417.97

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

3,4-dihydrocoumarins

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

3,4-dihydrocoumarins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3,4-dihydrocoumarin - Chromane - Benzopyran - 1-benzopyran - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyridine - Benzenoid - Heteroaromatic compound - Lactone - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Hydrochloride - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 3,4-dihydrocoumarins. These are 3,4-dihydrogenated coumarins. Coumarin is a bicyclic compound that a 1-benzopyran carrying an oxo group at the 2-position.

External Descriptors

Not available

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