Structure Information
Structure

Compound Identification

SMILES

CCCCC1=CC(=O)OC2=C3CN(COC3=C(Cl)C=C12)C1=CC(OC)=C(OC)C=C1C(=O)OC

InChIKey

InChIKey=FZNJDOSFQXYQQS-UHFFFAOYSA-N

Formula

C25H26ClNO7

Mass

487.93

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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 - M-methoxybenzoic acid or derivatives - P-methoxybenzoic acid or derivatives - Benzoate ester - Benzopyran - Benzoxazine - 1-benzopyran - Dimethoxybenzene - O-dimethoxybenzene - Benzoic acid or derivatives - Methoxyaniline - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Phenoxy compound - Benzoyl - Phenol ether - Anisole - Alkyl aryl ether - Pyranone - Benzenoid - Monocyclic benzene moiety - Pyran - Aryl halide - Aryl chloride - Vinylogous amide - Methyl ester - Heteroaromatic compound - Lactone - Carboxylic acid ester - Ether - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Azacycle - Amine - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - 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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