Structure Information
Structure

Compound Identification

SMILES

CC1=C(CNC(=O)CCCC(=O)NCCN)C2=C(O1)C(C)=C1OC(=O)C=C(C)C1=C2

InChIKey

InChIKey=QGJFANOWULUKDC-UHFFFAOYSA-N

Formula

C22H27N3O5

Mass

413.474

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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 - Pyranone - Fatty amide - Fatty acyl - Benzenoid - Pyran - N-acyl-amine - Heteroaromatic compound - Furan - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Lactone - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Primary amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Primary aliphatic amine - Organooxygen compound - Organonitrogen 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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