Compound Identification
SMILES
OC(CC1=CC=C(O)C=C1)C(=O)CC1=CC=CC=C1.OC(CC1=CNC2=CC=CC=C12)C(=O)CC1=CC=CC=C1
InChIKey
InChIKey=AOSQEAQWXFEZDC-UHFFFAOYSA-N
Formula
C34H33NO5
Mass
535.64
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
3-alkylindoles 1-hydroxy-2-unsubstituted benzenoids Substituted pyrroles Benzene and substituted derivatives Acyloins Heteroaromatic compounds Alpha-hydroxy ketones Secondary alcohols Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Norlignan skeleton - 3-alkylindole - Indole - Indole or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Acyloin - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Alpha-hydroxy ketone - Heteroaromatic compound - Pyrrole - Ketone - Secondary alcohol - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen 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