Structure Information
Structure

Compound Identification

SMILES

Br.CCN(CC)CCCOC1=C2OC(=O)C=CC2=CC2=C1OC=C2

InChIKey

InChIKey=VMSJFWRXIZKZKF-UHFFFAOYSA-N

Formula

C18H22BrNO4

Mass

396.281

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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 - Benzofuran - Phenol ether - Alkyl aryl ether - Pyranone - Pyran - Benzenoid - Furan - Heteroaromatic compound - Tertiary amine - Lactone - Tertiary aliphatic amine - Oxacycle - Ether - Organoheterocyclic compound - Hydrobromide - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - 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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