Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=CC(OC)=C1OCCC(=O)NCCCCCCNCC1=C(Cl)C=CC(=C1)C1=CC(=NN1CC1=CC=C(C)C=C1)C(=O)NC1C2(C)CCC(C2)C1(C)C)[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=FDUWMQXTVZQQPO-GHBAZWJVSA-N

Formula

C67H82ClN5O15

Mass

1232.86

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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 - Terpene lactone - Naphthofuran - Phenylpyrazole - Fenchane monoterpenoid - Monoterpenoid - Aromatic monoterpenoid - Pyranodioxin - Norbornane monoterpenoid - Tetralin - Dimethoxybenzene - M-dimethoxybenzene - Benzodioxole - 2-heteroaryl carboxamide - Benzylamine - Phenoxy compound - Anisole - Phenol ether - Phenylmethylamine - Pyrazole-5-carboxamide - Methoxybenzene - Aralkylamine - Toluene - Chlorobenzene - Halobenzene - Alkyl aryl ether - Benzenoid - Gamma butyrolactone - Monosaccharide - Monocyclic benzene moiety - Meta-dioxane - Aryl halide - Aryl chloride - Oxane - Azole - Oxolane - Heteroaromatic compound - Pyrazole - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Lactone - Secondary carboxylic acid amide - 1,2-diol - Secondary alcohol - Secondary aliphatic amine - Acetal - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Secondary amine - Azacycle - Oxacycle - Carboxylic acid derivative - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organic oxide - Alcohol - Organopnictogen compound - 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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