Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C(C=C1)[C@@]1(O)[C@@H]2[C@@H](COC2=O)C(=O)C2=CC3=C(OCO3)C=C12

InChIKey

InChIKey=YEERZAHEUNTKGH-ICNNEYJISA-N

Formula

C21H18O8

Mass

398.367

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lignans, neolignans and related compounds

Class

Lignan lactones

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Lignan lactones

Alternative Parents

Aryltetralin lignans Furanonaphthodioxoles Tetralins Dimethoxybenzenes Benzodioxoles Anisoles Aryl alkyl ketones Phenoxy compounds Alkyl aryl ethers Gamma butyrolactones Oxolanes Tertiary alcohols Carboxylic acid esters Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Aldehydes Hydrocarbon derivatives Organic oxides

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Lignan lactone - 1-aryltetralin lignan - Linear furanonaphthodioxole - Naphthofuran - Tetralin - Dimethoxybenzene - O-dimethoxybenzene - Benzodioxole - Phenoxy compound - Phenol ether - Anisole - Aryl ketone - Aryl alkyl ketone - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Gamma butyrolactone - Tertiary alcohol - Oxolane - Ketone - Lactone - Carboxylic acid ester - Acetal - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Alcohol - Hydrocarbon derivative - Carbonyl group - Aldehyde - Organic oxygen compound - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as lignan lactones. These are lignans that contain a lactone moiety. They include 1-aryltetralin lactones, dibenzylbutyrolactone lignans, and podophyllotoxins, among others.

External Descriptors

Not available

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