Compound Identification
SMILES
CC1=C(C)C2=C(C=C1)C(COC(=O)C1=CC=CC=C1SC1=CC=CC=C1C#N)=CC(=O)O2
InChIKey
InChIKey=KQZFUHKRMLEEHG-UHFFFAOYSA-N
Formula
C26H19NO4S
Mass
441.5
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
Diarylthioethers 1-benzopyrans Benzoic acid esters O-sulfanylbenzoic acids and derivatives Thiophenol ethers Benzonitriles Benzoyl derivatives Pyranones and derivatives Vinylogous thioesters Heteroaromatic compounds Carboxylic acid esters Lactones Sulfenyl compounds Oxacyclic compounds Nitriles Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Diarylthioether - Benzoate ester - Benzopyran - O-sulfanylbenzoic acid or derivatives - 1-benzopyran - Benzoic acid or derivatives - Aryl thioether - Benzonitrile - Benzoyl - Thiophenol ether - Pyranone - Benzenoid - Vinylogous thioester - Pyran - Monocyclic benzene moiety - Heteroaromatic compound - Carboxylic acid ester - Lactone - Sulfenyl compound - Oxacycle - Thioether - Organoheterocyclic compound - Carboxylic acid derivative - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Organosulfur compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Cyanide - Organopnictogen compound - Organic oxygen compound - 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