Compound Identification
SMILES
COC1=C2OC3=C4[C@@H](CC5=CC(OC6=CC=C(C[C@@H]7N(C)CCC(=C1)C7=C2)C=C6)=C(OC(=O)C1=CC(CCl)=CC=C1)C=C5)N(C)CCC4=CC(OC)=C3OC
InChIKey
InChIKey=FBYTYZIJLCKBQE-MPQUPPDSSA-N
Formula
C45H45ClN2O7
Mass
761.31
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
Diarylethers Tetrahydroisoquinolines Phenol esters Benzoic acid esters Anisoles Benzoyl derivatives Benzyl chlorides Alkyl aryl ethers Aralkylamines Trialkylamines Amino acids and derivatives Carboxylic acid esters Azacyclic compounds Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Oxyneolignan skeleton - Diaryl ether - Benzoate ester - Phenol ester - Tetrahydroisoquinoline - Benzoic acid or derivatives - Anisole - Benzoyl - Benzyl halide - Benzyl chloride - Phenol ether - Alkyl aryl ether - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Ether - Oxacycle - Alkyl chloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organic nitrogen compound - Organonitrogen compound - Amine - Alkyl halide - Organooxygen 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