Structure Information
Structure

Compound Identification

SMILES

COCC1=C2OC=CC2=C(OC)C2=C1OC(=O)C=C2

InChIKey

InChIKey=ZWXIHMRDDXGSHC-UHFFFAOYSA-N

Formula

C14H12O5

Mass

260.245

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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

1-benzopyrans Benzofurans Anisoles Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Furans Lactones Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

5-methoxypsoralen - Benzopyran - 1-benzopyran - Benzofuran - Anisole - Phenol ether - Pyranone - Alkyl aryl ether - Benzenoid - Pyran - Heteroaromatic compound - Furan - Lactone - Ether - Dialkyl ether - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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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