Compound Identification
SMILES
Cc1ccc(cc1)S(=O)(=O)Oc1ccc2c(CSc3nc4ccccc4c(=O)[nH]3)cc(=O)oc2c1
InChIKey
InChIKey=BHDFKBMZVOVVMB-UHFFFAOYSA-N
Formula
C25H18N2O6S2
Mass
506.55
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-Methylbenzenesulfonates Benzenesulfonate esters Quinazolines 1-benzopyrans Arylsulfonic acids and derivatives Pyrimidones Pyranones and derivatives Alkylarylthioethers Organosulfonic acid esters Sulfonyls Heteroaromatic compounds Lactones Lactams Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonate ester - P-methylbenzenesulfonate - Coumarin - Diazanaphthalene - 1-benzopyran - Benzenesulfonate - Quinazoline - Benzopyran - Arylsulfonic acid or derivatives - Aryl thioether - Alkylarylthioether - Pyrimidone - Pyranone - Benzenoid - Organosulfonic acid ester - Pyrimidine - Pyran - Monocyclic benzene moiety - Heteroaromatic compound - Sulfonyl - Organosulfonic acid or derivatives - Lactone - Lactam - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen 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