Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@@H]1CC2=CC(OC3=CC=C(C[C@H](N(CC4=CC=CC=C4)C(=O)OC(C)(C)C)C(=O)N1C)C=C3)=C(C=C2)[N+]([O-])=O

InChIKey

InChIKey=XVSNUIWRMBHFSZ-SVBPBHIXSA-N

Formula

C32H35N3O8

Mass

589.645

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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 heteropolycyclic compounds

Substituents

Oxyneolignan skeleton - Alpha-amino acid ester - Macrolactam - Diaryl ether - Alpha-amino acid or derivatives - Nitroaromatic compound - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Carbamic acid ester - Methyl ester - Carboxamide group - Carboxylic acid ester - Organic nitro compound - Lactam - C-nitro compound - Carboxylic acid derivative - Oxacycle - Azacycle - Ether - Organoheterocyclic compound - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic zwitterion - Aromatic heteropolycyclic 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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