Structure Information
Structure

Compound Identification

SMILES

CCC(=O)OCC1OC(OC2C3COC(=O)C3C(C3=CC(OC)=C(OC)C(OC)=C3)C3=CC4=C(OCO4)C=C23)C(OC(=O)CC)C(OC(=O)CC)C1OC(=O)CC

InChIKey

InChIKey=AKVVCGYMYLOKRO-UHFFFAOYSA-N

Formula

C40H48O17

Mass

800.807

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