Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=CC(OC)=C1O)[C@H]1[C@@H]2C(COC2=O)[C@H](OC(=O)C2=CC=CC=C2)C2=CC3=C(OCO3)C=C12

InChIKey

InChIKey=UILRVLMYVFCLQD-DBGJTOQZSA-N

Formula

C28H24O9

Mass

504.491

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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 - Benzoate ester - Methoxyphenol - Tetralin - Dimethoxybenzene - M-dimethoxybenzene - Benzoic acid or derivatives - Benzodioxole - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Phenoxy compound - Alkyl aryl ether - Phenol - Benzenoid - Monocyclic benzene moiety - Gamma butyrolactone - Dicarboxylic acid or derivatives - Tetrahydrofuran - Lactone - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Acetal - Oxacycle - Ether - Organic oxygen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - 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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