Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)C(=C(/CC(=O)N1CCCCC1)C1=CC=CC=C1)\C1=CC=CC=C1
InChIKey
InChIKey=ALOMWKWFXCVVLG-BYCLXTJYSA-N
Formula
C29H29NO3
Mass
439.555
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 N-acylpiperidines Phenoxy compounds Methoxybenzenes Benzoyl derivatives Aryl ketones Anisoles Alkyl aryl ethers Alpha-branched alpha,beta-unsaturated ketones Tertiary carboxylic acid amides Acryloyl compounds Enones Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Retrochalcone - Norlignan skeleton - Linear 1,3-diarylpropanoid - Stilbene - Cinnamic acid or derivatives - N-acyl-piperidine - Phenol ether - Phenoxy compound - Anisole - Aryl ketone - Benzoyl - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Alpha-branched alpha,beta-unsaturated-ketone - Piperidine - Benzenoid - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Tertiary carboxylic acid amide - Ketone - Carboxamide group - Organoheterocyclic compound - Ether - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen 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