Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)\C=C\C1=C(NCC2=CC=C(OC)C=C2)C2=CC=CC=C2OC1=O

InChIKey

InChIKey=LTJLQVVYURSWFU-OUKQBFOZSA-N

Formula

C22H21NO5

Mass

379.412

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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 - Anisole - Phenoxy compound - Benzylamine - Phenol ether - Phenylmethylamine - Methoxybenzene - Alkyl aryl ether - Fatty acid ester - Pyranone - Secondary aliphatic/aromatic amine - Aralkylamine - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Pyran - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Heteroaromatic compound - Lactone - Carboxylic acid ester - Amino acid or derivatives - Carboxylic acid derivative - Secondary amine - Monocarboxylic acid or derivatives - Ether - Oxacycle - Organoheterocyclic compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Amine - Organonitrogen compound - Organooxygen 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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