Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC=[N+](CCCOC2=C3OC=CC3=C(Br)C3=C2OC(=O)C=C3)C=C1

InChIKey

InChIKey=RSTCGSSMUSKWGT-UHFFFAOYSA-N

Formula

C21H17BrNO6

Mass

459.271

Export to:

JSON SDF CSV

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 - Benzofuran - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Phenol ether - Alkyl aryl ether - Pyranone - Aryl bromide - Aryl halide - Benzenoid - Pyran - Pyridinium - Pyridine - Heteroaromatic compound - Furan - Methyl ester - Lactone - Carboxylic acid ester - Oxacycle - Carboxylic acid derivative - Azacycle - Ether - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen 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

Previous Back Next