Compound Identification
SMILES
O\N=C(/CC1=CC(Br)=C(O)C=C1)C(=O)NCCSSCCNC(=O)C(\CC1=CC(Br)=C(OC2=C(O)C(Br)=CC(C\C(=N/O)C(=O)NCCSSCCNC(=O)C(\CC3=CC(Br)=C(O)C=C3)=N\O)=C2)C=C1)=N/O
InChIKey
InChIKey=PHUBBXZZBWPBDO-MMQKNZFLSA-N
Formula
C44H46Br4N8O12S4
Mass
1326.75
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
Bromodiphenyl ethers Diarylethers Phenoxy compounds Phenol ethers O-bromophenols 1-hydroxy-2-unsubstituted benzenoids Bromobenzenes Aryl bromides Fatty amides Ketoximes Secondary carboxylic acid amides Dialkyldisulfides Sulfenyl compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Oxyneolignan skeleton - Bromodiphenyl ether - Diphenylether - Diaryl ether - Phenoxy compound - 2-halophenol - 2-bromophenol - Phenol ether - Bromobenzene - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Phenol - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - Ketoxime - Secondary carboxylic acid amide - Organic disulfide - Carboxamide group - Dialkyldisulfide - Sulfenyl compound - Oxime - Carboxylic acid derivative - Ether - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organohalogen compound - Organobromide - Aromatic homomonocyclic 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