Compound Identification
SMILES
CN1C=CN=C1SC1=C(O)C2=CC=CC=C2OC1=O
InChIKey
InChIKey=GTHQHSJOGFFCNA-UHFFFAOYSA-N
Formula
C13H10N2O3S
Mass
274.29
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
-
Subclass
Hydroxycoumarins
- Level 5 4-hydroxycoumarins
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Subclass
Hydroxycoumarins
-
Class
Coumarins and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Hydroxycoumarins
Intermediate Tree Nodes
Not available
Direct Parent
4-hydroxycoumarins
Alternative Parents
Diarylthioethers 1-benzopyrans Pyranones and derivatives N-substituted imidazoles Benzenoids Vinylogous acids Heteroaromatic compounds Lactones Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-hydroxycoumarin - Diarylthioether - Benzopyran - 1-benzopyran - Aryl thioether - Pyranone - N-substituted imidazole - Benzenoid - Pyran - Azole - Imidazole - Heteroaromatic compound - Vinylogous acid - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 4-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to C4-position the coumarin skeleton.
External Descriptors
Not available