Structure Information
Structure

Compound Identification

SMILES

COC1(CCOCC1)\C=C\COC1=CC2=CC3=C(COC3=O)C(C3=CC=C(F)C=C3)=C2C=C1

InChIKey

InChIKey=KRBKAUIABIZHMV-XNWCZRBMSA-N

Formula

C27H25FO5

Mass

448.49

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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

Lignan lactones Naphthofurans Phthalides Naphthalenes Phenol ethers Alkyl aryl ethers Fluorobenzenes Oxanes Aryl fluorides Lactones Carboxylic acid esters Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organofluorides Organic oxides

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Arylnaphthalene lignan skeleton - Lignan lactone - Naphthofuran - Isobenzofuranone - Naphthalene - Phthalide - Isocoumaran - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Oxane - Lactone - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organohalogen compound - Organofluoride - Organooxygen 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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