Structure Information
Structure

Compound Identification

SMILES

FC1=CC2=C(C=C1)C(=NO2)C1CCN(CCCCOC2=C3OC(=O)C=CC3=CC3=C2OC=C3)CC1

InChIKey

InChIKey=XEYZITCUBGGNTG-UHFFFAOYSA-N

Formula

C27H25FN2O5

Mass

476.504

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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 - Benzisoxazole - Benzofuran - Phenol ether - Aralkylamine - Pyranone - Alkyl aryl ether - Benzenoid - Aryl halide - Pyran - Aryl fluoride - Piperidine - Furan - Isoxazole - Heteroaromatic compound - Azole - Lactone - Tertiary aliphatic amine - Tertiary amine - Ether - Organoheterocyclic compound - Azacycle - Oxacycle - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Amine - 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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