Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=CC(OC)=C1OC1OC(C(O)C(O)C1O)C(O)=O)C1C2C(COC2=O)C(OC2OC3COC(C)OC3C(O)C2O)C2=CC3=C(OCO3)C3OC123

InChIKey

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