Compound Identification
SMILES
CNCCC1=CC2=C(OCO2)C2=C1C(=O)CC1=CC=C(OC3=CC(CC4N(C)CCC5=CC(OC)=C(O2)C=C45)=CC=C3OC)C=C1
InChIKey
InChIKey=WJLRUXSAOPNNNH-UHFFFAOYSA-N
Formula
C37H38N2O7
Mass
622.718
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 Benzodioxoles Phenethylamines Anisoles Aryl alkyl ketones Alkyl aryl ethers Aralkylamines Trialkylamines Oxacyclic compounds Dialkylamines Azacyclic compounds Acetals Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Oxyneolignan skeleton - Diaryl ether - Tetrahydroisoquinoline - Benzodioxole - Phenethylamine - Anisole - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Aralkylamine - Benzenoid - Tertiary aliphatic amine - Tertiary amine - Ketone - Azacycle - Oxacycle - Secondary amine - Organoheterocyclic compound - Acetal - Secondary aliphatic amine - Ether - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organooxygen compound - 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