Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=BMKRDVAEOSDNPJ-OAHLLOKOSA-N

Formula

C22H26O8

Mass

418.442

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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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

5-methoxypsoralen - Benzopyran - 1-benzopyran - Benzofuran - Anisole - Alkyl aryl ether - Pyranone - Fatty acid ester - Fatty acyl - Benzenoid - Pyran - Heteroaromatic compound - Tertiary alcohol - Furan - Carboxylic acid ester - Lactone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Alcohol - Organic oxygen compound - Carbonyl group - Organic oxide - Organooxygen compound - Hydrocarbon derivative - 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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