Compound Identification
SMILES
CCOCCOC(=O)C(=O)NC1=NC(=CS1)C1=CC2=C(OC1=O)C=C(O)C=C2
InChIKey
InChIKey=ZVDHPXYGNYHMGU-UHFFFAOYSA-N
Formula
C18H16N2O7S
Mass
404.39
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
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Subclass
Hydroxycoumarins
- Level 5 7-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
7-hydroxycoumarins
Alternative Parents
1-benzopyrans Alpha amino acids and derivatives N-arylamides Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids 2,4-disubstituted thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Lactones Dialkyl ethers Azacyclic compounds Monocarboxylic acids and derivatives Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
7-hydroxycoumarin - Alpha-amino acid or derivatives - Benzopyran - 1-benzopyran - N-arylamide - 2,4-disubstituted 1,3-thiazole - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Benzenoid - Pyran - Azole - Heteroaromatic compound - Thiazole - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Lactone - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 7-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the C7 position the coumarin skeleton.
External Descriptors
Not available