Structure Information
Structure

Compound Identification

SMILES

CCSCCC(NC(=O)CC1=C(C)C2=C(OC1=O)C=C1OC=C(C)C1=C2)C(O)=O

InChIKey

InChIKey=VHATXJKTYVRTBY-UHFFFAOYSA-N

Formula

C21H23NO6S

Mass

417.48

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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 - Alpha-amino acid or derivatives - Benzopyran - 1-benzopyran - Benzofuran - Pyranone - Thia fatty acid - Fatty acyl - Pyran - Benzenoid - Furan - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Lactone - Sulfenyl compound - Thioether - Dialkylthioether - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Oxacycle - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - 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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