Structure Information
Structure

Compound Identification

SMILES

[Br-].CC1=CC(=O)OC2=C(C)C3=C(C=C12)C(C[N+](C)(C)C)CO3

InChIKey

InChIKey=IMEPFVGGMQNVSB-UHFFFAOYSA-M

Formula

C17H22BrNO3

Mass

368.271

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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

Direct Parent

Psoralens

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Psoralen - Benzopyran - 1-benzopyran - Coumaran - Alkyl aryl ether - Aralkylamine - Pyranone - Benzenoid - Pyran - Tetraalkylammonium salt - Heteroaromatic compound - Quaternary ammonium salt - Lactone - Ether - Oxacycle - Organoheterocyclic compound - Organic nitrogen compound - Amine - Organic salt - Organic bromide salt - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as psoralens. These are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one.

External Descriptors

Not available

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