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[C@@]1([H])O[C@@]([H])(CO[C@@]2([H])O[C@@]([H])(CO)[C@]([H])(O)[C@@]([H])(O)[C@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O

InChIKey

InChIKey=XHMZLRFGDPKVBR-OEOHJQQPSA-N

Formula

C34H42O18

Mass

738.692

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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 - Naphthofuran - O-glycosyl compound - Glycosyl compound - Disaccharide - Tetralin - Benzodioxole - Phenoxy compound - Methoxybenzene - Anisole - Phenol ether - Alkyl aryl ether - Gamma butyrolactone - Monocyclic benzene moiety - Oxane - Benzenoid - Tetrahydrofuran - Carboxylic acid ester - Secondary alcohol - Lactone - Ether - Organoheterocyclic compound - Acetal - Carboxylic acid derivative - Oxacycle - Polyol - Monocarboxylic acid or derivatives - Organic oxygen compound - Primary alcohol - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - 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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