Compound Identification
SMILES
CS(=O)(=O)CC[C@H](NC(=O)C1=C(C=C(C=C(CN2C=CN=C2)C2=CC=C(F)C=C2)C=C1)C1=CC=C(F)C=C1)C(O)=O
InChIKey
InChIKey=IEXQXPUHDFJTHV-NDEPHWFRSA-N
Formula
C30H27F2N3O5S
Mass
579.62
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Diarylheptanoids
- Subclass Linear diarylheptanoids
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Class
Diarylheptanoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Diarylheptanoids
Subclass
Linear diarylheptanoids
Intermediate Tree Nodes
Not available
Direct Parent
Linear diarylheptanoids
Alternative Parents
Stilbenes N-acyl-alpha amino acids Hippuric acids Biphenyls and derivatives Styrenes Benzoyl derivatives Imidazolyl carboxylic acids and derivatives Thia fatty acids Fluorobenzenes Aryl fluorides N-substituted imidazoles Sulfones Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organonitrogen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Stilbene - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Hippuric acid - Hippuric acid or derivatives - Biphenyl - Alpha-amino acid or derivatives - Benzoic acid or derivatives - Benzamide - Benzoyl - Styrene - Imidazolyl carboxylic acid derivative - Thia fatty acid - Fluorobenzene - Halobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - N-substituted imidazole - Fatty acyl - Azole - Heteroaromatic compound - Sulfonyl - Sulfone - Imidazole - Secondary carboxylic acid amide - Carboxamide group - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Organohalogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.
External Descriptors
Not available