Compound Identification
SMILES
COC1=C(C=C(C=C1)C(=O)OCC1=CC(=O)OC2=C1C=CC(C)=C2)S(=O)(=O)NC1=CC=C(C)C=C1
InChIKey
InChIKey=UBDAIQYAAFJOBO-UHFFFAOYSA-N
Formula
C26H23NO7S
Mass
493.53
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
P-methoxybenzoic acids and derivatives 1-benzopyrans Sulfanilides Benzenesulfonamides Benzoic acid esters Benzenesulfonyl compounds Anisoles Phenoxy compounds Benzoyl derivatives Methoxybenzenes Toluenes Alkyl aryl ethers Pyranones and derivatives Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Lactones Carboxylic acid esters Monocarboxylic acids and derivatives Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - P-methoxybenzoic acid or derivatives - Sulfanilide - 1-benzopyran - Benzopyran - Benzoate ester - Benzenesulfonamide - Benzenesulfonyl group - Benzoic acid or derivatives - Anisole - Phenol ether - Benzoyl - Phenoxy compound - Methoxybenzene - Toluene - Alkyl aryl ether - Pyranone - Organosulfonic acid amide - Pyran - Benzenoid - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Heteroaromatic compound - Carboxylic acid ester - Lactone - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen 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