Compound Identification
SMILES
CC1=C(O)C=CC2=C1OC(=O)C=C2COC(=O)\C=C\C1=NC2=CC=CC=C2S1
InChIKey
InChIKey=IVEZJKWKACQIQB-CMDGGOBGSA-N
Formula
C21H15NO5S
Mass
393.41
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
-
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 Benzothiazoles Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Fatty acid esters Thiazoles Heteroaromatic compounds Enoate esters Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
7-hydroxycoumarin - Benzopyran - 1-benzopyran - 1,3-benzothiazole - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Phenol - Pyranone - Pyran - Benzenoid - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thiazole - Azole - Heteroaromatic compound - Lactone - Carboxylic acid ester - Azacycle - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen 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