Structure Information
Structure

Compound Identification

SMILES

CCCCCC1=CC2=C([C@@H]3CC(C)=C(C)C[C@]3(C#N)C(=O)O2)C(O)=C1

InChIKey

InChIKey=LTLOSWHORLGJHF-HRAATJIYSA-N

Formula

C21H25NO3

Mass

339.435

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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 - Benzenoid - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Nitrile - Carbonitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Cyanide - Organic oxygen compound - 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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