Structure Information
Structure

Compound Identification

SMILES

CN1C=NC=C1C(N)(C1=CC=C(Cl)C=C1)C1=CC2=C(C=C1)N(C)C(=O)C=C2C1=CC(Cl)=CC=C1.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]2O)C2=CC3=C(OCO3)C=C12

InChIKey

InChIKey=SOTBQLFWPIZVIO-XXTSEDLJSA-N

Formula

C56H54Cl2N4O14

Mass

1077.96

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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

Not available

Substituents

Podophyllotoxin - Linear 1,7-diphenylheptane skeleton - 1-aryltetralin lignan - Linear furanonaphthodioxole - Phenylquinoline - Naphthofuran - 4-phenylpyridine - Dihydroquinolone - Quinoline - Pyranodioxin - Tetralin - Dihydroquinoline - Dimethoxybenzene - Methoxyphenol - M-dimethoxybenzene - Benzodioxole - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Alkyl aryl ether - Chlorobenzene - Halobenzene - Phenol - Aralkylamine - Pyridinone - Pyridine - Benzenoid - Aryl chloride - Aryl halide - Oxane - Monocyclic benzene moiety - Meta-dioxane - Gamma butyrolactone - Monosaccharide - N-substituted imidazole - Oxolane - Azole - Imidazole - Heteroaromatic compound - Lactone - Lactam - Secondary alcohol - 1,2-diol - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Acetal - Ether - Carboxylic acid derivative - Primary amine - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organochloride - Amine - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Alcohol - Primary aliphatic amine - Hydrocarbon derivative - Organohalogen 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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