Compound Identification
SMILES
CC1=CC(NS(=O)(=O)C2=CC(C(=O)OCC3=CC(=O)OC4=C3C=CC(C)=C4C)=C(C)C=C2)=CC=C1
InChIKey
InChIKey=XIONKUQCDOSPJG-UHFFFAOYSA-N
Formula
C27H25NO6S
Mass
491.56
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
P-toluenesulfonamides Sulfanilides 1-benzopyrans Benzenesulfonamides Benzoic acid esters Benzenesulfonyl compounds Benzoyl derivatives Pyranones and derivatives Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Lactones Carboxylic acid esters Monocarboxylic acids and derivatives Oxacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
P-toluenesulfonamide - Coumarin - Benzenesulfonamide - Benzoate ester - Benzopyran - 1-benzopyran - Sulfanilide - Benzoic acid or derivatives - Benzenesulfonyl group - Benzoyl - Pyranone - Toluene - Monocyclic benzene moiety - Benzenoid - Pyran - Organosulfonic acid amide - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Lactone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - 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