Compound Identification
SMILES
OC(CCC1=CC=CC=C1)(CC(=O)N1CCC(O)(CC1)C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=JLVMQHPMGWHVJQ-UHFFFAOYSA-N
Formula
C28H31NO3
Mass
429.56
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
Linear 1,3-diarylpropanoids Phenylpiperidines N-acylpiperidines Benzene and substituted derivatives Tertiary carboxylic acid amides Tertiary alcohols Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Norlignan skeleton - Linear 1,3-diarylpropanoid - Phenylpiperidine - N-acyl-piperidine - Monocyclic benzene moiety - Piperidine - Benzenoid - Tertiary alcohol - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Aromatic alcohol - Alcohol - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteromonocyclic 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