Compound Identification
SMILES
CC1(C)CCC(C)(C)C2=C(CC3=CC=CC=C3C(N)=O)C=C(OC3=CC(CC4=CC=CC=C4C(N)=O)=C4C(=C3)C(C)(C)CCC4(C)C)C=C12
InChIKey
InChIKey=YBPLMFPAKREPIL-UHFFFAOYSA-N
Formula
C44H52N2O3
Mass
656.911
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
Diarylethers Tetralins Benzamides Phenol ethers Benzoyl derivatives Primary carboxylic acid amides Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Oxyneolignan skeleton - Diaryl ether - Tetralin - Benzamide - Benzoic acid or derivatives - Benzoyl - Phenol ether - Monocyclic benzene moiety - Benzenoid - Carboxamide group - Primary carboxylic acid amide - Ether - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic homopolycyclic 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