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Structure Information
Structure

Compound Identification

SMILES

[I-].[I-].CCC(O)(C(CC1=CC=CC=C1)C[N+]1(C)CC[N+](C)(C)CC1)C1=CC=CC=C1

InChIKey

InChIKey=HNDBAZOOQBTBHD-UHFFFAOYSA-L

Formula

C25H38I2N2O

Mass

636.401

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lignans, neolignans and related compounds

Class

Not available

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Lignans, neolignans and related compounds

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Norlignan skeleton - Linear 1,3-diarylpropanoid - Phenylpropane - N-methylpiperazine - N-alkylpiperazine - Aralkylamine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Quaternary ammonium salt - Tertiary alcohol - 1,3-aminoalcohol - Tetraalkylammonium salt - Azacycle - Organoheterocyclic compound - Aromatic alcohol - Hydrocarbon derivative - Organic salt - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organic iodide salt - Alcohol - Organic zwitterion - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as lignans, neolignans and related compounds. These are plant products of low molecular weight formed primarily from oxidative coupling of two p-propylphenol moieties. They can also be described as micromolecules with two phenylpropanoid units coupled together. They can be attached in various manners, like C5-C5', C8-C8'. Most known natural lignans are oxidized at C9 and C9´ and, based upon the way in which oxygen is incorporated into the skeleton and on the cyclization patterns, a wide range of lignans of very different structural types can be formed.

External Descriptors

Not available

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