Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(C)C2=C(C3=C(OCO3)C=C2)C(=C1COS(C)(=O)=O)C1=CC=C(F)C=C1

InChIKey

InChIKey=REZBVQGYAZVYGK-UHFFFAOYSA-N

Formula

C22H19FO7S

Mass

446.45

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lignans, neolignans and related compounds

Class

Arylnaphthalene lignans

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Arylnaphthalene lignans

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Arylnaphthalene lignan skeleton - 2-naphthalenecarboxylic acid or derivatives - 2-naphthalenecarboxylic acid - Naphthalene - Benzodioxole - Halobenzene - Fluorobenzene - Organosulfonic acid ester - Sulfonic acid ester - Aryl halide - Aryl fluoride - Monocyclic benzene moiety - Benzenoid - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Methanesulfonate - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Acetal - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Organofluoride - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as arylnaphthalene lignans. These are lignans containing the arylnaphthalene skeleton, especially 9-(2H-1,3-benzodioxol-5-yl)-1H,3H-naphtho[2,3-c]furan-1-one or a derivative thereof. Arylnaphthalene lignans occur in nature and exhibit diverse biological activities.

External Descriptors

Not available

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