Compound Identification
SMILES
COC(=O)CC(CCC1=CC=C(N)C=C1)C1=CC=CC(=C1)C(N)=N
InChIKey
InChIKey=HVOVFAYWILWKPI-UHFFFAOYSA-N
Formula
C19H23N3O2
Mass
325.412
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
Linear 1,3-diarylpropanoids Aniline and substituted anilines Fatty acid methyl esters Methyl esters Amino acids and derivatives Monocarboxylic acids and derivatives Carboximidamides Carboxamidines Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Norlignan skeleton - Linear 1,3-diarylpropanoid - Aniline or substituted anilines - Fatty acid ester - Fatty acid methyl ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Carboximidamide - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Amine - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic homomonocyclic 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