Structure Information
Structure

Compound Identification

SMILES

[H][C@]12COC(=O)[C@@]1([H])[C@]([H])(C1=CC(OC)=C(OC)C(OC)=C1)C1=CC3=C(OCO3)C=C1[C@]2([H])O

InChIKey

InChIKey=YJGVMLPVUAXIQN-HAEOHBJNSA-N

Formula

C22H22O8

Mass

414.41

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lignans, neolignans and related compounds

Class

Lignan lactones

Subclass

Podophyllotoxins

Intermediate Tree Nodes

Not available

Direct Parent

Podophyllotoxins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Podophyllotoxin - 1-aryltetralin lignan - Linear furanonaphthodioxole - Naphthofuran - Tetralin - Benzodioxole - Phenoxy compound - Phenol ether - Anisole - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Gamma butyrolactone - Tetrahydrofuran - Secondary alcohol - Carboxylic acid ester - Lactone - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Ether - Oxacycle - Carboxylic acid derivative - Acetal - Organic oxygen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as podophyllotoxins. These are tetralin lignans in which the benzene moiety of the tetralin skeleton is fused to a 1,3-dioxolane and the cyclohexane is fused to a butyrolactone (pyrrolidin-2-one).

External Descriptors

CHEBI:75251 : lignan - furonaphthodioxole

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