Structure Information
Structure

Compound Identification

SMILES

CCCCCCC\C=C/C(OC(C)(C)C(O)COC1=C2OC=CC2=C(OC)C2=C1OC(=O)C=C2)C#CC#CC(O)C=C

InChIKey

InChIKey=DUYUEYQXMSACGP-LGMDPLHJSA-N

Formula

C34H40O8

Mass

576.686

Export to:

JSON SDF CSV

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

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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

5-methoxypsoralen - Long chain fatty alcohol - Benzopyran - 1-benzopyran - Benzofuran - Fatty alcohol - Anisole - Phenol ether - Alkyl aryl ether - Pyranone - Fatty acyl - Benzenoid - Pyran - Furan - Heteroaromatic compound - Lactone - Secondary alcohol - Organoheterocyclic compound - Ether - Dialkyl ether - Oxacycle - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Organic oxide - 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

Previous Back Next