Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=CC(OC)=C1OC1OC(C(O)C(O)C1O)C(O)=O)C1C2C(COC2=O)C(OC2OC3COC(CO)OC3C(O)C2O)C2=C1C=C1OCOC1=C2

InChIKey

InChIKey=YPPVOTJKEBKDRK-UHFFFAOYSA-N

Formula

C35H40O20

Mass

780.685

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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 - Lignan glycoside - 1-aryltetralin lignan - Linear furanonaphthodioxole - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Naphthofuran - Hexose monosaccharide - Alkyl glycoside - O-glycosyl compound - Glycosyl compound - Dimethoxybenzene - Tetralin - M-dimethoxybenzene - Pyranodioxin - Benzodioxole - Phenoxy compound - Methoxybenzene - Anisole - Phenol ether - Beta-hydroxy acid - Alkyl aryl ether - Dicarboxylic acid or derivatives - Fatty acyl - Gamma butyrolactone - Benzenoid - Monocyclic benzene moiety - Meta-dioxane - Oxane - Monosaccharide - Pyran - Hydroxy acid - Tetrahydrofuran - Secondary alcohol - Carboxylic acid ester - Lactone - Organoheterocyclic compound - Oxacycle - Polyol - Acetal - Carboxylic acid derivative - Carboxylic acid - Ether - Organooxygen compound - Primary alcohol - Organic oxide - Carbonyl group - Alcohol - Organic oxygen compound - Hydrocarbon derivative - 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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