Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C(OC(C)(C)C)C1=C(C)C=C2C(OC)=CC=CC2=C1C1=CC=C(Cl)C=C1

InChIKey

InChIKey=XEBAJJNSUIQDHH-UHFFFAOYSA-N

Formula

C26H29ClO4

Mass

440.96

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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

Naphthalenes Anisoles Chlorobenzenes Alkyl aryl ethers Aryl chlorides Carboxylic acid esters Monocarboxylic acids and derivatives Dialkyl ethers Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Arylnaphthalene lignan skeleton - Naphthalene - Anisole - Phenol ether - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carbonyl group - Organohalogen compound - Organochloride - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homopolycyclic 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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