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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Lignans, neolignans and related compounds
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
Alpha amino acid esters Macrolactams Diarylethers Nitroaromatic compounds Benzene and substituted derivatives Tertiary carboxylic acid amides Carbamate esters Methyl esters Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Oxacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic zwitterions Hydrocarbon derivatives Organic salts Organonitrogen compounds Organic oxides Carbonyl compounds
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