Compound Identification
SMILES
OC(=O)CCNC(=O)C1=CC=C(CC(C(=O)NC2=CC(C3=NC4=CC=CC=C4S3)=C(OC(F)(F)F)C=C2)C2=CC=C(C=C2)C2=CCCCC2)C=C1
InChIKey
InChIKey=ZZXIJCMBYCQNEK-UHFFFAOYSA-N
Formula
C39H34F3N3O5S
Mass
713.77
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 Beta amino acids and derivatives Aromatic monoterpenoids Phenylacetamides Bicyclic monoterpenoids Anilides Benzamides Benzothiazoles Phenoxy compounds Benzoyl derivatives Phenol ethers N-arylamides Fatty amides Heteroaromatic compounds Thiazoles Trihalomethanes Secondary carboxylic acid amides Carboxylic acids Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Organofluorides Alkyl fluorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Neolignan skeleton - Stilbene - Beta amino acid or derivatives - P-cymene - Aromatic monoterpenoid - Bicyclic monoterpenoid - Monoterpenoid - Phenylacetamide - Benzamide - Benzoic acid or derivatives - 1,3-benzothiazole - Anilide - Phenoxy compound - Benzoyl - Phenol ether - N-arylamide - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - Thiazole - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Trihalomethane - Carboxamide group - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Carbonyl group - Alkyl halide - Hydrocarbon derivative - Halomethane - Alkyl fluoride - Organic oxide - Organohalogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Organofluoride - 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