Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=CC(OC)=C1OC(=O)CCCN1CCN(C)CC1)[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=LJDQBMJDAFLBET-BGHSOMRESA-N

Formula

C38H48N2O14

Mass

756.802

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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 - Phenol ester - Tetralin - Dimethoxybenzene - Pyranodioxin - M-dimethoxybenzene - Benzodioxole - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Fatty acid ester - N-methylpiperazine - N-alkylpiperazine - Alkyl aryl ether - Oxane - Gamma butyrolactone - Benzenoid - Monosaccharide - Fatty acyl - Dicarboxylic acid or derivatives - 1,4-diazinane - Piperazine - Monocyclic benzene moiety - Meta-dioxane - Oxolane - 1,2-diol - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Lactone - Tertiary amine - Secondary alcohol - Ether - Azacycle - Oxacycle - Acetal - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Alcohol - Organic oxygen compound - Amine - Organic nitrogen compound - Organonitrogen 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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