Compound Identification
SMILES
OC(=O)COC1=C(C=C(SCCCC2=CC=C(C=C2)C2=CC=C(CCCSC3=CC(=C(OCC(O)=O)C=C3)C(F)(F)F)C=C2)C=C1)C(F)(F)F
InChIKey
InChIKey=GEIOQDPSJNZJIZ-UHFFFAOYSA-N
Formula
C36H32F6O6S2
Mass
738.76
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
Biphenyls and derivatives Phenoxyacetic acid derivatives Trifluoromethylbenzenes Thiophenol ethers Phenoxy compounds Phenol ethers Alkyl aryl ethers Alkylarylthioethers Dicarboxylic acids and derivatives Sulfenyl compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Alkyl fluorides Organofluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Neolignan skeleton - Biphenyl - Phenoxyacetate - Trifluoromethylbenzene - Phenoxy compound - Aryl thioether - Thiophenol ether - Phenol ether - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Ether - Thioether - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organofluoride - Organooxygen compound - Organosulfur compound - 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