Structure Information
Structure

Compound Identification

SMILES

CC1=CC(=O)OC2=C(C)C3=C(C=C12)C(C[N+](C)(C)C)CO3

InChIKey

InChIKey=AWMJCUJWBHCLQV-UHFFFAOYSA-N

Formula

C17H22NO3

Mass

288.366

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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 - Coumaran - Alkyl aryl ether - Pyranone - Aralkylamine - Pyran - Benzenoid - Tetraalkylammonium salt - Quaternary ammonium salt - Heteroaromatic compound - Lactone - Ether - Oxacycle - Organoheterocyclic compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic cation - 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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