Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=CC(OC)=C1O)[C@H]1[C@@H]2C(COC2=O)[C@H](OCC2COC(C)(C)O2)C2=CC3=C(OCO3)C=C12

InChIKey

InChIKey=NQYIRBDPFHHZSE-HXTQCEFGSA-N

Formula

C27H30O10

Mass

514.527

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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 - Methoxyphenol - Tetralin - Dimethoxybenzene - M-dimethoxybenzene - Benzodioxole - Phenol ether - Phenoxy compound - Methoxybenzene - Anisole - Phenol - Ketal - Alkyl aryl ether - Gamma butyrolactone - Benzenoid - Monocyclic benzene moiety - Meta-dioxolane - Oxolane - Lactone - Carboxylic acid ester - Acetal - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen 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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