Structure Information
Structure

Compound Identification

SMILES

CSCCC(CO)N=C(O)CC1=C(C)C2=C(OC1=O)C=C1OC(C)=C(C)C1=C2

InChIKey

InChIKey=UMAWURNQQVTHHJ-UHFFFAOYSA-N

Formula

C21H25NO5S

Mass

403.49

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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 - Pyran - Benzenoid - Furan - Heteroaromatic compound - Lactone - Propargyl-type 1,3-dipolar organic compound - Carboximidic acid - Carboximidic acid derivative - Oxacycle - Organoheterocyclic compound - Thioether - Sulfenyl compound - Dialkylthioether - Organic 1,3-dipolar compound - Organooxygen compound - Organosulfur compound - Primary alcohol - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Alcohol - 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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