Compound Identification
SMILES
CCCCCCOC(=O)C1=CC=CC=C1NC=C(C#N)C1=NC(=CS1)C1=CC2=CC=CC=C2OC1=O
InChIKey
InChIKey=JCQXVPLZYCLGHU-UHFFFAOYSA-N
Formula
C28H25N3O4S
Mass
499.59
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
Benzoic acid esters 1-benzopyrans Aminobenzoic acids and derivatives Aniline and substituted anilines Benzoyl derivatives Pyranones and derivatives 2,4-disubstituted thiazoles Vinylogous amides Heteroaromatic compounds Amino acids and derivatives Carboxylic acid esters Lactones Enamines Azacyclic compounds Secondary amines Nitriles Monocarboxylic acids and derivatives Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Aminobenzoic acid or derivatives - 1-benzopyran - Benzoate ester - Benzopyran - Benzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - Pyranone - Pyran - Monocyclic benzene moiety - Benzenoid - Thiazole - Azole - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Secondary amine - Enamine - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Amine - Organic oxygen compound - Organopnictogen compound - Organooxygen compound - Cyanide - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - 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