Compound Identification
SMILES
[O-][N+](=O)C1=C\C(=C/N\N=C2/SC=C(N2CC2=CC=CC=C2)C2=CC3=CC=CC=C3OC2=O)C(=O)C=C1
InChIKey
InChIKey=KPOPJJOATMBPNB-DUFQBJGKSA-N
Formula
C26H18N4O5S
Mass
498.51
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 O-quinomethanes Pyranones and derivatives Benzene and substituted derivatives Vinylogous amides Thiazoles Heteroaromatic compounds C-nitro compounds Lactones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Oxacyclic compounds Hydrazones Organic oxoazanium compounds Organic zwitterions Hydrocarbon derivatives Organic salts Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - O-quinomethane - Quinomethane - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Azole - Heteroaromatic compound - Vinylogous amide - Thiazole - Ketone - Lactone - C-nitro compound - Organic nitro compound - Cyclic ketone - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic 1,3-dipolar compound - Hydrazone - Organic oxoazanium - Oxacycle - Organic salt - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Organic zwitterion - 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