Structure Information
Structure

Compound Identification

SMILES

COC1=C2C=COC2=C(OC[C@H]2OC2(C)C)C2=C1C=CC(=O)O2

InChIKey

InChIKey=ORBITTMJKIGFNH-LLVKDONJSA-N

Formula

C17H16O6

Mass

316.309

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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

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

CHEBI:80800 : psoralens

Previous Back Next