Structure Information
Structure

Compound Identification

SMILES

COC1=C2C=COC2=CC2=C1C(OS(=O)(=O)C1=CC=C(NC(C)=O)C=C1)=CC(=O)O2

InChIKey

InChIKey=VTLOIRRMPQHCLK-UHFFFAOYSA-N

Formula

C20H15NO8S

Mass

429.4

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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

5-methoxypsoralens

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

5-methoxypsoralen - Benzenesulfonate ester - Acetanilide - Benzopyran - 1-benzopyran - Benzenesulfonate - N-acetylarylamine - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Anilide - Benzofuran - Anisole - Phenol ether - N-arylamide - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Organosulfonic acid ester - Acetamide - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Furan - Sulfonyl - Secondary carboxylic acid amide - Carboxamide group - Lactone - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Carbonyl group - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 5-methoxypsoralens. These are psoralens containing a methoxy group attached at the C5 position of the psoralen group.

External Descriptors

Not available

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