Structure Information
Structure

Compound Identification

SMILES

COC1=C2OC(=O)C=C(OS(=O)(=O)C3=CC=C(NC(C)=O)C=C3)C2=C(OC)C2=C1OC=C2

InChIKey

InChIKey=TWJYBNYOUYONMJ-UHFFFAOYSA-N

Formula

C21H17NO9S

Mass

459.43

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