Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=CC(OC)=C1OC(=O)N(C)C1=C(O[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)C(O)=O)C=CC(=C1)[N+]([O-])=O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](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=GXJMKQZJNZEDKU-VTVDGJMKSA-N

Formula

C43H46N2O23

Mass

958.832

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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 - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Naphthofuran - Hexose monosaccharide - Phenylcarbamic acid ester - Glycosyl compound - O-glycosyl compound - Pyranodioxin - M-dimethoxybenzene - Dimethoxybenzene - Tetralin - Benzodioxole - Nitrobenzene - Phenol ether - Anisole - Nitroaromatic compound - Methoxybenzene - Phenoxy compound - Beta-hydroxy acid - Alkyl aryl ether - Meta-dioxane - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Gamma butyrolactone - Hydroxy acid - Monosaccharide - Benzenoid - Oxane - Pyran - Oxolane - Carbamic acid ester - Carboxylic acid ester - Organic nitro compound - Lactone - C-nitro compound - Secondary alcohol - Polyol - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Oxacycle - Acetal - Carboxylic acid derivative - Ether - Organic oxoazanium - Carboxylic acid - Organic oxide - Alcohol - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic zwitterion - Organic oxygen compound - Organic salt - 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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