Compound Identification
SMILES
COC1=C(F)C2=C3C(CC4=CC(OC5=CC=C(CC6C7=CC(O2)=C(OC)C=C7CC[N+]6(C)CC([O-])=O)C=C5)=C(OC)C=C4)[N+](C)(CC([O-])=O)CCC3=C1
InChIKey
InChIKey=XDLHVJRPAOHALG-UHFFFAOYSA-N
Formula
C41H43FN2O9
Mass
726.798
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 Tetrahydroisoquinolines Alpha amino acids Anisoles Alkyl aryl ethers Aralkylamines Aryl fluorides Dicarboxylic acids and derivatives Tetraalkylammonium salts Carboxylic acid salts Oxacyclic compounds Carboxylic acids Azacyclic compounds Organic oxides Carbonyl compounds Organic salts Organofluorides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Oxyneolignan skeleton - Diaryl ether - Alpha-amino acid - Alpha-amino acid or derivatives - Tetrahydroisoquinoline - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Dicarboxylic acid or derivatives - Aryl fluoride - Benzenoid - Aryl halide - Tetraalkylammonium salt - Quaternary ammonium salt - Carboxylic acid salt - Oxacycle - Carboxylic acid - Organoheterocyclic compound - Azacycle - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic salt - Hydrocarbon derivative - Amine - Organic oxide - Organic cation - 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