Structure Information
Structure

Compound Identification

SMILES

CC1=C(CN2CCN(CC3=CC=CC=C3)CC2)C2=C(O1)C(C)=C1OC(=O)C=C(C)C1=C2

InChIKey

InChIKey=MZQUVBLUBFHTKV-UHFFFAOYSA-N

Formula

C26H28N2O3

Mass

416.521

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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

Direct Parent

Psoralens

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Psoralen - Benzopyran - 1-benzopyran - Benzofuran - Benzylamine - Phenylmethylamine - Pyranone - N-alkylpiperazine - Aralkylamine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Pyran - Benzenoid - Heteroaromatic compound - Furan - Lactone - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as psoralens. These are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one.

External Descriptors

Not available

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