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Structure Information
Structure

Compound Identification

SMILES

C[N@@+]1([O-])CCC2=CC(O)=C3OC4=C5OC3=C2[C@@H]1CC1=CC(OC2=C(O)C=CC(CC3=NCCC(=C4)C3=C5)=C2)=CC=C1

InChIKey

InChIKey=ODWQPETWLJQNIG-YQPGIBNTSA-N

Formula

C33H28N2O6

Mass

548.595

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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 - Dibenzo-p-dioxin - Diaryl ether - Dihydroisoquinoline - Tetrahydroisoquinoline - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Trialkyl amine oxide - Ketimine - N-oxide - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Trisubstituted n-oxide - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Imine - Organooxygen compound - Organic oxygen compound - Organic oxide - Organic salt - Organic cation - 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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