Compound Identification
SMILES
CC[N+](C)(CC)CCOC12C=CC1(C=CC=C2)C1=CC=C(C=C1)C1=CC=C(C=C1)C12C=CC1(OCC[N+](C)(CC)CC)C=CC=C2
InChIKey
InChIKey=YUGKVHPHAIILGQ-UHFFFAOYSA-N
Formula
C42H54N2O2
Mass
618.905
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
Biphenyls and derivatives Tetraalkylammonium salts Dialkyl ethers Organopnictogen compounds Organic salts Hydrocarbon derivatives Amines Organic cations
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Neolignan skeleton - Biphenyl - Benzenoid - Monocyclic benzene moiety - Tetraalkylammonium salt - Quaternary ammonium salt - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organonitrogen compound - Amine - Organic cation - 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