Structure Information
Structure

Compound Identification

SMILES

ClCCN(CCCl)P(Cl)(=O)OC1=C2OC(=O)C=CC2=CC2=C1OC=C2

InChIKey

InChIKey=DRDKAUSJBREKBZ-UHFFFAOYSA-N

Formula

C15H13Cl3NO5P

Mass

424.59

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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 - Nitrogen mustard - Pyranone - Organic phosphoric acid derivative - Phosphoric acid ester - Pyran - Benzenoid - Organic phosphoric acid amide - Heteroaromatic compound - Furan - Lactone - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Alkyl halide - Organooxygen compound - Organonitrogen compound - Organochloride - Alkyl chloride - Organohalogen compound - Organic oxide - Organic nitrogen compound - 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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