Structure Information
Structure

Compound Identification

SMILES

[Br-].CC1=CC(=O)OC2=C(C)C3=C(CC(C[N+]4=CC=CC5=CC=CC=C45)O3)C=C12

InChIKey

InChIKey=MZDZDOSNKRQPHA-UHFFFAOYSA-M

Formula

C23H20BrNO3

Mass

438.321

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 - Quinoline - 1-benzopyran - Coumaran - Alkyl aryl ether - Pyranone - Pyran - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - Lactone - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic bromide salt - Organic nitrogen compound - Organic salt - 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