Structure Information
Structure

Compound Identification

SMILES

COC1=C2OC(=O)C(\C=N\NC3=CC=CC=C3)=C(Cl)C2=C(OC)C2=C1OC=C2

InChIKey

InChIKey=MLUSQCAVEJLDHM-LSHDLFTRSA-N

Formula

C20H15ClN2O5

Mass

398.8

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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

8-methoxypsoralens

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

5-methoxypsoralen - 8-methoxypsoralen - 1-benzopyran - Benzopyran - Benzofuran - Anisole - Phenylhydrazine - Phenol ether - Alkyl aryl ether - Pyranone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Vinylogous halide - Furan - Lactone - Hydrazone - Ether - Organoheterocyclic compound - Oxacycle - Organic oxide - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 8-methoxypsoralens. These are psoralens containing a methoxy group attached at the C8 position of the psoralen group.

External Descriptors

Not available

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