Compound Identification
SMILES
COC1=C(O)C=CC(=C1)[C@@H](O)[C@H](CO)OC1=CC2=C(NC=C2CCNC(=O)\C=C\C2=CC=C(O)C=C2)C=C1
InChIKey
InChIKey=LMWMSKRQOYZVFO-SWBAOWADSA-N
Formula
C29H30N2O7
Mass
518.566
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
Coumaric acids and derivatives Cinnamic acid amides 3-alkylindoles Methoxyphenols Styrenes Phenoxy compounds Methoxybenzenes Anisoles 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Substituted pyrroles Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Azacyclic compounds Primary alcohols Aromatic alcohols Hydrocarbon derivatives Organic oxides Organonitrogen compounds Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Neolignan skeleton - Cinnamic acid amide - Cinnamic acid or derivatives - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - Methoxyphenol - 3-alkylindole - Indole - Indole or derivatives - Anisole - Phenoxy compound - Methoxybenzene - Phenol ether - Styrene - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Substituted pyrrole - Monocyclic benzene moiety - Benzenoid - Pyrrole - Heteroaromatic compound - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Azacycle - Organic oxide - Organic oxygen compound - Alcohol - Primary alcohol - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic alcohol - 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