Compound Identification
SMILES
CC1=C(Br)C(=O)OC2=C1C=CC(O)=C2C(=O)CSC(=S)N1CCCCC1
InChIKey
InChIKey=UWQJWQCIPCPBPC-UHFFFAOYSA-N
Formula
C18H18BrNO4S2
Mass
456.37
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 Aryl alkyl ketones Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Piperidines Aryl bromides Vinylogous acids Dithiocarbamic acid esters Heteroaromatic compounds Lactones Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organobromides Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
7-hydroxycoumarin - 1-benzopyran - Benzopyran - Aryl ketone - Aryl alkyl ketone - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Phenol - Aryl bromide - Pyran - Piperidine - Aryl halide - Benzenoid - Heteroaromatic compound - Vinylogous acid - Dithiocarbamic acid ester - Ketone - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - 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