Compound Identification
SMILES
COC1=CC=C(SCC(=O)OCC2=CC(=O)OC3=CC(C)=C(Cl)C=C23)C=C1
InChIKey
InChIKey=UHBLXIPTUYAVAY-UHFFFAOYSA-N
Formula
C20H17ClO5S
Mass
404.86
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 Phenoxy compounds Anisoles Methoxybenzenes Pyranones and derivatives Alkyl aryl ethers Alkylarylthioethers Aryl chlorides Heteroaromatic compounds Carboxylic acid esters Lactones Sulfenyl compounds Monocarboxylic acids and derivatives Oxacyclic compounds Carbonyl compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Methoxybenzene - Thiophenol ether - Alkyl aryl ether - Pyranone - Alkylarylthioether - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Aryl halide - Pyran - Heteroaromatic compound - Carboxylic acid ester - Lactone - Monocarboxylic acid or derivatives - Ether - Thioether - Carboxylic acid derivative - Sulfenyl compound - Organoheterocyclic compound - Oxacycle - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organosulfur 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