Compound Identification
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)\C=C(\C(=O)C1=CC=C(C=C1)C(=O)NCCC(O)=O)C1=CC=C(C=C1)C1=CCCCC1
InChIKey
InChIKey=XTSYABYXKDEHEZ-UQRQXUALSA-N
Formula
C36H37NO5
Mass
563.694
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
Retrochalcones Stilbenes Cinnamic acids and derivatives Beta amino acids and derivatives Benzamides Phenylpropanes Aryl ketones Styrenes Benzoyl derivatives Alpha-branched alpha,beta-unsaturated ketones Enones Acryloyl compounds Secondary carboxylic acid amides Carboxylic acids Monocarboxylic acids and derivatives Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Norlignan skeleton - Retrochalcone - Linear 1,3-diarylpropanoid - Stilbene - Cinnamic acid or derivatives - Beta amino acid or derivatives - Benzamide - Phenylpropane - Benzoic acid or derivatives - Styrene - Benzoyl - Aryl ketone - Alpha-branched alpha,beta-unsaturated-ketone - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Secondary carboxylic acid amide - Carboxamide group - Ketone - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organic oxygen compound - Aromatic homomonocyclic 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