Compound Identification
SMILES
N[C@@H]1CC2=CC(Br)=C(OC3=C(O)C(Br)=CC(C[C@@H](N)C(=O)NCCC4=CC(Br)=C(OC5=C(O)C(Br)=CC(CCNC1=O)=C5)C(Br)=C4)=C3)C(Br)=C2
InChIKey
InChIKey=JWJYJMVADBVARS-CLJLJLNGSA-N
Formula
C34H30Br6N4O6
Mass
1070.06
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
Macrolactams Alpha amino acid amides Diarylethers O-bromophenols Aralkylamines Aryl bromides Secondary carboxylic acid amides Lactams Oxacyclic compounds Azacyclic compounds Organobromides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Oxyneolignan skeleton - Macrolactam - Alpha-amino acid amide - Diaryl ether - Alpha-amino acid or derivatives - 2-halophenol - 2-bromophenol - Aralkylamine - Phenol - Aryl bromide - Aryl halide - Benzenoid - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactam - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Azacycle - Oxacycle - Organooxygen compound - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Organohalogen compound - Organobromide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Amine - Primary amine - 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