Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=CC(OC)=C1OC)[C@H]1[C@@H]2[C@H](COC2=O)[C@@H](O[C@@H]2OC3COC(OC3[C@H](O)[C@H]2O)C2=CC=CC=C2O)C2=CC3=C(OCO3)C=C12

InChIKey

InChIKey=YMQPCIXQSVBLRK-RVKKUCOHSA-N

Formula

C35H36O14

Mass

680.659

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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 - Pyranodioxin - Benzodioxole - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Meta-dioxane - Monocyclic benzene moiety - Gamma butyrolactone - Monosaccharide - Oxane - Benzenoid - Oxolane - Secondary alcohol - Lactone - Carboxylic acid ester - 1,2-diol - Oxacycle - Monocarboxylic acid or derivatives - Acetal - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Alcohol - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - 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

Not available

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