Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=CC(OC)=C1OC(=O)CN1CCN(C)CC1)C1C2C(COC2=O)C(OC2OC3COC(C)OC3C(OC(=O)CN3CCN(C)CC3)C2OC(=O)CN2CCN(C)CC2)C2=CC3=C(OCO3)C=C12

InChIKey

InChIKey=LFRIRRVUVCGFBL-UHFFFAOYSA-N

Formula

C50H68N6O16

Mass

1009.12

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