Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=CC(OC)=C1OC(=O)OCC1=CC=CC=C1)[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](OS(=O)(=O)C3=CC=C(C)C=C3)[C@H]2O)C2=CC3=C(OCO3)C=C12

InChIKey

InChIKey=XQEYCOOGCPBFQH-FDTYKHHJSA-N

Formula

C44H44O17S

Mass

876.88

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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 - Benzenesulfonate ester - P-methylbenzenesulfonate - Pyranodioxin - Tetralin - Benzenesulfonate - Tosyl compound - M-dimethoxybenzene - Dimethoxybenzene - Benzyloxycarbonyl - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Benzodioxole - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Toluene - Alkyl aryl ether - Meta-dioxane - Monocyclic benzene moiety - Carbonic acid diester - Gamma butyrolactone - Monosaccharide - Benzenoid - Oxane - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Oxolane - Secondary alcohol - Carbonic acid derivative - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Ether - Acetal - Monocarboxylic acid or derivatives - Organooxygen compound - Carbonyl group - Alcohol - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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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