Compound Identification
SMILES
CN1SC2=CC=CC=C2C(=O)C1C(=O)NC1=C(O)C2=C(OC1=O)C=CC(C)=C2
InChIKey
InChIKey=OCLXGVJFBJXEKG-UHFFFAOYSA-N
Formula
C20H16N2O5S
Mass
396.42
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
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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
1-benzopyrans Alpha amino acids and derivatives Benzothiazines N-arylamides Aryl alkyl ketones Pyranones and derivatives 1,2-thiazines 1,3-dicarbonyl compounds Benzenoids Vinylogous acids Heteroaromatic compounds Secondary carboxylic acid amides Lactones Oxacyclic compounds Organosulfenic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-hydroxycoumarin - 1-benzopyran - Alpha-amino acid or derivatives - Benzopyran - Benzothiazine - N-arylamide - Aryl ketone - Aryl alkyl ketone - Pyranone - Pyran - Benzenoid - Ortho-thiazine - 1,3-dicarbonyl compound - Vinylogous acid - Heteroaromatic compound - Secondary carboxylic acid amide - Lactone - Ketone - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organosulfenic acid amide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - 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