Compound Identification
SMILES
CC1=CC=C(NS(=O)(=O)C2=CC=C(C=C2)C(=O)OCC2=CC(=O)OC3=C2C=CC(C)=C3C)C=C1
InChIKey
InChIKey=BTBSUGKIKRWIOY-UHFFFAOYSA-N
Formula
C26H23NO6S
Mass
477.53
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
Sulfanilides 1-benzopyrans Benzenesulfonamides Benzoic acid esters Benzenesulfonyl compounds Benzoyl derivatives Toluenes 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
Coumarin - Benzenesulfonamide - Benzoate ester - Benzopyran - Sulfanilide - 1-benzopyran - Benzoic acid or derivatives - Benzenesulfonyl group - Benzoyl - Pyranone - Toluene - Monocyclic benzene moiety - Pyran - Organosulfonic acid amide - Benzenoid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Heteroaromatic compound - Carboxylic acid ester - Lactone - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organic nitrogen compound - Organonitrogen 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