Structure Information
Structure

Compound Identification

SMILES

COC1=C2OC(=O)C=C(NC3=CC=C(Cl)C=C3)C2=C(OC)C2=C1OC=C2

InChIKey

InChIKey=XHLNVHMGLXFQEI-UHFFFAOYSA-N

Formula

C19H14ClNO5

Mass

371.77

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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

5-methoxypsoralen - 8-methoxypsoralen - Benzopyran - 1-benzopyran - Benzofuran - Phenol ether - Anisole - Aniline or substituted anilines - Halobenzene - Chlorobenzene - Alkyl aryl ether - Pyranone - Pyran - Primary aromatic amine - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Furan - Lactone - Ether - Secondary amine - Organoheterocyclic compound - Oxacycle - Organonitrogen compound - Organic oxide - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organohalogen compound - Organochloride - 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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