Structure Information
Structure

Compound Identification

SMILES

COC1=C2C=COC2=CC2=C1C(N1CCOCC1)=C(C=O)C(=O)O2

InChIKey

InChIKey=DVNQPJCNXAYELO-UHFFFAOYSA-N

Formula

C17H15NO6

Mass

329.308

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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 - Psoralens

Direct Parent

5-methoxypsoralens

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

5-methoxypsoralen - Benzopyran - 1-benzopyran - Benzofuran - Anisole - Dialkylarylamine - Phenol ether - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - Pyranone - Aryl-aldehyde - Morpholine - Oxazinane - Benzenoid - Pyran - Heteroaromatic compound - Furan - Vinylogous amide - Lactone - Tertiary amine - Oxacycle - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Aldehyde - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 5-methoxypsoralens. These are psoralens containing a methoxy group attached at the C5 position of the psoralen group.

External Descriptors

Not available

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