Structure Information
Structure

Compound Identification

SMILES

Cl.COC1=C2OC(=O)C=CC2=C(CN2CCCCC2)C2=C1OC=C2

InChIKey

InChIKey=DTMJPMANJWSPEL-UHFFFAOYSA-N

Formula

C18H20ClNO4

Mass

349.81

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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

1-benzopyrans Benzofurans Anisoles Pyranones and derivatives Alkyl aryl ethers Aralkylamines Piperidines Heteroaromatic compounds Furans Trialkylamines Lactones Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organopnictogen compounds

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

8-methoxypsoralen - Benzopyran - 1-benzopyran - Benzofuran - Anisole - Alkyl aryl ether - Aralkylamine - Pyranone - Piperidine - Benzenoid - Pyran - Heteroaromatic compound - Furan - Lactone - Tertiary aliphatic amine - Tertiary amine - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrochloride - Organopnictogen 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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