Structure Information
Structure

Compound Identification

SMILES

CCCCN1[C@@H](C)C(=O)N(C)[C@@H](CC2=CC=C(OC)C=C2)C(=O)N[C@@H](C)C(=O)N(C)[C@H]2CC3=CC=C(OC4=C(OC)C=CC(C[C@H](N(C)C2=O)C(=O)N[C@H](C)C1=O)=C4)C=C3

InChIKey

InChIKey=OFOHDOZKARJNIZ-GRCQCCPSSA-N

Formula

C45H58N6O9

Mass

826.992

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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 - Macrolactam - Diaryl ether - Alpha-amino acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Lactam - Amino acid or derivatives - Tertiary amine - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Oxacycle - Ether - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - 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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