Compound Identification
SMILES
COC1=CC(=CC(OC)=C1OC)C(=O)OC1=C2OC3=CC=C(C[C@@H]4N(C)CCC5=CC(OC)=C(OC6=C7[C@@H](CC(C=C1)=C2)N(C)CCC7=CC(OC)=C6OC)C=C45)C=C3
InChIKey
InChIKey=IMVOBBVIXAQIED-OIDHKYIRSA-N
Formula
C47H50N2O10
Mass
802.921
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
Gallic acid and derivatives Diarylethers M-methoxybenzoic acids and derivatives P-methoxybenzoic acids and derivatives Benzoic acid esters Tetrahydroisoquinolines Phenol esters Methoxybenzenes Phenoxy compounds Benzoyl derivatives Anisoles Alkyl aryl ethers Aralkylamines Amino acids and derivatives Trialkylamines Carboxylic acid esters Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Oxyneolignan skeleton - Gallic acid or derivatives - M-methoxybenzoic acid or derivatives - Diaryl ether - P-methoxybenzoic acid or derivatives - Phenol ester - Benzoate ester - Tetrahydroisoquinoline - Benzoic acid or derivatives - Benzoyl - Methoxybenzene - Phenol ether - Anisole - Phenoxy compound - Alkyl aryl ether - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - 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