Structure Information
Structure

Compound Identification

SMILES

Cl.CCOC(=O)N1CCC(CC1)N[C@H]1[C@H]2COC(=O)C2C(C2=CC(OC)=C(O)C(OC)=C2)C2=CC3=C(OCO3)C=C12

InChIKey

InChIKey=NIFAUZLHLDJVMD-JMJLHCGTSA-N

Formula

C29H35ClN2O9

Mass

591.05

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lignans, neolignans and related compounds

Class

Lignan lactones

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Lignan lactones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Lignan lactone - Tametraline - 1-aryltetralin lignan - Linear furanonaphthodioxole - Naphthofuran - Methoxyphenol - Tetralin - Dimethoxybenzene - M-dimethoxybenzene - Piperidinecarboxylic acid - Benzodioxole - Methoxybenzene - Phenoxy compound - Phenol ether - Anisole - Alkyl aryl ether - Aralkylamine - Phenol - 4-aminopiperidine - Gamma butyrolactone - Benzenoid - Piperidine - Monocyclic benzene moiety - Carbamic acid ester - Tetrahydrofuran - Carbonic acid derivative - Lactone - Amino acid or derivatives - Carboxylic acid ester - Acetal - Oxacycle - Carboxylic acid derivative - Azacycle - Secondary aliphatic amine - Ether - Organoheterocyclic compound - Secondary amine - Monocarboxylic acid or derivatives - Amine - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrochloride - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as lignan lactones. These are lignans that contain a lactone moiety. They include 1-aryltetralin lactones, dibenzylbutyrolactone lignans, and podophyllotoxins, among others.

External Descriptors

Not available

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