Structure Information
Structure

Compound Identification

SMILES

C\C=C(\C)C(=O)OC(COC1=C2OC=CC2=C(O)C2=C1OC(=O)C=C2)C(C)(C)O

InChIKey

InChIKey=CWNOGGIUFLHPSX-WZUFQYTHSA-N

Formula

C21H22O8

Mass

402.399

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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-hydroxypsoralens

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

5-hydroxypsoralen - Benzopyran - 1-benzopyran - Benzofuran - Phenol ether - Alkyl aryl ether - Fatty acid ester - Phenol - Pyranone - Fatty acyl - Benzenoid - Pyran - Heteroaromatic compound - Furan - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Lactone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Oxacycle - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Alcohol - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 5-hydroxypsoralens. These are psoralens containing a hydroxyl group attached at the C5 position of the psoralen group.

External Descriptors

Not available

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