Compound Identification
SMILES
CSc1ccc(\C=C2\C(C)=C(C(C)C(=O)NCCN(C)C)c3cc(F)ccc23)cc1
InChIKey
InChIKey=NNBKZCGLDGWASW-HMAPJEAMSA-N
Formula
C25H29FN2OS
Mass
424.58
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
Stilbenes Indenes and isoindenes Thiophenol ethers Styrenes Alkylarylthioethers N-acyl amines Trialkylamines Amino acids and derivatives Sulfenyl compounds Carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Norlignan skeleton - Stilbene - Indene - Aryl thioether - Thiophenol ether - Styrene - Alkylarylthioether - Fatty acyl - Benzenoid - N-acyl-amine - Fatty amide - Monocyclic benzene moiety - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Amino acid or derivatives - Sulfenyl compound - Thioether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Aromatic homopolycyclic 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