Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=CC(OC)=C1OP(O)(O)=O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2OC3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2=CC3=C(OCO3)C=C12

InChIKey

InChIKey=LIQODXNTTZAGID-STKZERGVSA-N

Formula

C29H33O16P

Mass

668.541

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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 - Phenyl phosphate - Aryl phosphate - Aryl phosphomonoester - Pyranodioxin - Tetralin - Dimethoxybenzene - M-dimethoxybenzene - Benzodioxole - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Organic phosphoric acid derivative - Benzenoid - Monocyclic benzene moiety - Gamma butyrolactone - Meta-dioxane - Phosphoric acid ester - Monosaccharide - Oxane - Oxolane - 1,2-diol - Carboxylic acid ester - Lactone - Secondary alcohol - Acetal - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organic oxygen compound - Organooxygen compound - Carbonyl group - Alcohol - Organic oxide - Hydrocarbon derivative - 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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