Compound Identification
SMILES
CCCCCCCC1COC(CCC2=CC(F)=C(C=C2)C2=CC=C(CCCCCCC)C=C2)OC1
InChIKey
InChIKey=QNXLQEQWBYFZEJ-UHFFFAOYSA-N
Formula
C32H47FO2
Mass
482.724
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 Fluorobenzenes Aryl fluorides 1,3-dioxanes Oxacyclic compounds Acetals Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Neolignan skeleton - Biphenyl - Fluorobenzene - Halobenzene - Meta-dioxane - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Oxacycle - Acetal - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organofluoride - Organooxygen compound - Aromatic heteromonocyclic 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