Compound Identification
SMILES
C1=CC=CC=C1.COC1=C2OC3=C4[C@@H](CC5=CC(OC6=CC=C(C[C@@H]7N(C)CCC(=C1)C7=C2)C=C6)=C(O)C=C5)N(C)CCC4=CC(OC)=C3OC
InChIKey
InChIKey=BCRANABGBDJPMM-QBYKQQEBSA-N
Formula
C43H46N2O6
Mass
686.849
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 Anisoles Aralkylamines Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Aromatic hydrocarbons Trialkylamines Oxacyclic compounds Azacyclic compounds Unsaturated hydrocarbons Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Oxyneolignan skeleton - Diaryl ether - Tetrahydroisoquinoline - Anisole - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Phenol - Monocyclic benzene moiety - Benzenoid - Aromatic hydrocarbon - Tertiary aliphatic amine - Tertiary amine - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Unsaturated hydrocarbon - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon - 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