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Structure Information
Structure

Compound Identification

SMILES

COC1=C2OC(=O)C=CC2=C(NC(=O)C(Cl)(Cl)Cl)C2=C1OC=C2

InChIKey

InChIKey=AAKSHYWRKAPCFY-UHFFFAOYSA-N

Formula

C14H8Cl3NO5

Mass

376.57

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Furanocoumarins

Intermediate Tree Nodes

Linear furanocoumarins - Psoralens

Direct Parent

8-methoxypsoralens

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

8-methoxypsoralen - Benzopyran - 1-benzopyran - Benzofuran - Methoxyaniline - Phenol ether - N-arylamide - Anisole - Pyranone - Alkyl aryl ether - Benzenoid - Pyran - Furan - Heteroaromatic compound - Lactone - Secondary carboxylic acid amide - Carboxamide group - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alkyl halide - Alkyl chloride - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 8-methoxypsoralens. These are psoralens containing a methoxy group attached at the C8 position of the psoralen group.

External Descriptors

Not available

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