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Structure Information
Structure

Compound Identification

SMILES

CC1=C(CC(=O)NC(CC2=CNC3=CC=CC=C23)C(O)=O)C(=O)OC2=C1C=C1C(OC=C1C(C)(C)C)=C2

InChIKey

InChIKey=WZWIRFMTIYKOQT-UHFFFAOYSA-N

Formula

C29H28N2O6

Mass

500.551

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