Structure Information
Structure

Compound Identification

SMILES

Cl.COC1=CC(=CC(OC)=C1O)[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]2N(C)C)C2=CC3=C(OCO3)C=C12

InChIKey

InChIKey=PYLTTZZOZBYUEI-YRQLFVATSA-N

Formula

C31H38ClNO12

Mass

652.09

Export to:

JSON SDF CSV

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 - Aminoglycoside core - 1-aryltetralin lignan - Linear furanonaphthodioxole - Naphthofuran - Methoxyphenol - Pyranodioxin - Tetralin - M-dimethoxybenzene - Dimethoxybenzene - Benzodioxole - Phenoxy compound - Phenol ether - Anisole - Methoxybenzene - Alkyl aryl ether - Phenol - Monosaccharide - Meta-dioxane - Oxane - Gamma butyrolactone - Benzenoid - Monocyclic benzene moiety - Oxolane - Amino acid or derivatives - Tertiary amine - Secondary alcohol - Lactone - Carboxylic acid ester - Tertiary aliphatic amine - 1,2-aminoalcohol - Acetal - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Hydrochloride - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Alcohol - Organooxygen compound - Organopnictogen 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

Previous Back Next