Structure Information
Structure

Compound Identification

SMILES

CC1=COC2=CC3=C(C=C12)C(C)=C(CC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C([O-])=O)C(=O)O3

InChIKey

InChIKey=BJTZZEBZJSIVGA-OAQYLSRUSA-M

Formula

C26H21N2O6

Mass

457.463

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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 - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Indolyl carboxylic acid derivative - Alpha-amino acid or derivatives - Benzopyran - 3-alkylindole - 1-benzopyran - Benzofuran - Indole - Indole or derivatives - Pyranone - Pyran - Benzenoid - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Furan - Carboxamide group - Lactone - Secondary carboxylic acid amide - Carboxylic acid salt - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Azacycle - Carboxylic acid - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic anion - 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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