Compound Identification
SMILES
CCC1(CCCC1)N(CCO)CC(=O)C1=CC=CC=C1CCC(O)CC1=CC=CC=C1C(=O)N(CCO)C(C)(C)C1=CC=CC=C1
InChIKey
InChIKey=FBDJIHKCMNJBTE-UHFFFAOYSA-N
Formula
C39H52N2O5
Mass
628.854
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
Alkyl-phenylketones Phenylpropanes Benzamides Benzoyl derivatives Aryl alkyl ketones Tertiary carboxylic acid amides Alpha-amino ketones Trialkylamines Secondary alcohols Amino acids and derivatives 1,2-aminoalcohols Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Norlignan skeleton - Alkyl-phenylketone - Benzamide - Benzoic acid or derivatives - Phenylketone - Phenylpropane - Benzoyl - Aryl alkyl ketone - Aryl ketone - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Alpha-aminoketone - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - 1,2-aminoalcohol - Carboxamide group - Ketone - Secondary alcohol - Carboxylic acid derivative - Alkanolamine - Amine - Organopnictogen compound - Organic oxygen compound - Alcohol - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Primary alcohol - 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