Structure Information
Structure

Compound Identification

SMILES

COC1=C2C=COC2=CC2=C1C(=CC(=O)O2)N=[N+]=[N-]

InChIKey

InChIKey=LXCFMECONONMLB-UHFFFAOYSA-N

Formula

C12H7N3O4

Mass

257.205

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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 - Phenol ether - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Furan - Azo compound - Azo imide - Lactone - Ether - Oxacycle - Organoheterocyclic compound - Organonitrogen compound - Organic nitrogen compound - Organic salt - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic cation - 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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