Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=CC(OC)=C1OC)C1C2C(COC2=O)C(OC(=O)C2=CC=CC=C2)C2=CC3=C(OCO3)C=C12

InChIKey

InChIKey=KXDIYVPVDBVXES-UHFFFAOYSA-N

Formula

C29H26O9

Mass

518.518

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