Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=CC(OC)=C1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2C[C@@H](N)[C@@H]3O[C@H](C)OC[C@H]3O2)C2=CC3=C(OCO3)C=C12

InChIKey

InChIKey=BTKQJXHSDWNDAS-QQYDXUMVSA-N

Formula

C29H33NO11

Mass

571.579

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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 - Aminoglycoside core - 1-aryltetralin lignan - Linear furanonaphthodioxole - Naphthofuran - Methoxyphenol - Pyranodioxin - Tetralin - M-dimethoxybenzene - Dimethoxybenzene - Benzodioxole - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Phenol - Alkyl aryl ether - Meta-dioxane - Monosaccharide - Gamma butyrolactone - Oxane - Benzenoid - Monocyclic benzene moiety - Oxolane - Amino acid or derivatives - Lactone - Carboxylic acid ester - Acetal - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Amine - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Primary aliphatic amine - 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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