Compound Identification
SMILES
CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)NCCN1C(=O)CC(SC3=CC=CC=C3)C1=O)C(=O)O2)C(F)(F)F
InChIKey
InChIKey=KKHWIWRXUQJLQJ-UHFFFAOYSA-N
Formula
C27H26F3N3O5S
Mass
561.58
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarins and derivatives
Alternative Parents
1-benzopyrans Thiophenol ethers Dialkylarylamines Alkylarylthioethers Pyranones and derivatives Pyrrolidine-2-ones Benzene and substituted derivatives N-substituted carboxylic acid imides N-alkylpyrrolidines Dicarboximides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Lactones Lactams Oxacyclic compounds Azacyclic compounds Sulfenyl compounds Organofluorides Carbonyl compounds Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Aryl thioether - Tertiary aliphatic/aromatic amine - Thiophenol ether - Dialkylarylamine - Pyranone - Alkylarylthioether - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Pyran - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Benzenoid - Pyrrolidine - Heteroaromatic compound - Carboxylic acid imide - Dicarboximide - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactam - Lactone - Thioether - Organoheterocyclic compound - Azacycle - Oxacycle - Sulfenyl compound - Carboxylic acid derivative - Hydrocarbon derivative - Alkyl halide - Organohalogen compound - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic oxide - Amine - Alkyl fluoride - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
External Descriptors
Not available