Compound Identification
SMILES
CC(C(CCC1=CC=CC=C1)C1=CC=CC(\C=C\C2=CC=CC=C2)=C1)N(CC(O)=O)C(=O)C1COC(O1)(C(O)=O)C(O)=O
InChIKey
InChIKey=FKIWBHPHTDKRFR-FOCLMDBBSA-N
Formula
C33H33NO9
Mass
587.625
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 Stilbenes N-acyl-alpha amino acids Phenylbutylamines Tricarboxylic acids and derivatives Phenylpropanes Styrenes Ketals Tertiary carboxylic acid amides 1,3-dioxolanes Oxacyclic compounds Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Norlignan skeleton - Linear 1,3-diarylpropanoid - Stilbene - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Phenylbutylamine - Alpha-amino acid or derivatives - Tricarboxylic acid or derivatives - Phenylpropane - Styrene - Ketal - Monocyclic benzene moiety - Benzenoid - Meta-dioxolane - Tertiary carboxylic acid amide - Carboxamide group - Acetal - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organooxygen 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