Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=CC(OC)=C1OC(=O)N(C)CCN(C)C(=O)OCCC(C)(O)CC(C)=O)C1C2C(COC2=O)C(O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2=CC3=C(OCO3)C=C12

InChIKey

InChIKey=LQIYFCAQFNLTID-STRBMAQUSA-N

Formula

C42H54N2O18

Mass

874.89

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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 - Pyranodioxin - Tetralin - Dimethoxybenzene - M-dimethoxybenzene - Benzodioxole - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Meta-dioxane - Monosaccharide - Oxane - Gamma butyrolactone - Benzenoid - Beta-hydroxy ketone - Carbamic acid ester - Tertiary alcohol - Oxolane - Secondary alcohol - Lactone - Carboxylic acid ester - Ketone - Acetal - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Aldehyde - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organopnictogen 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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