Compound Identification
SMILES
CN1C(=O)N(C)C2=C(C(C3=CC=CC=C3O2)C2=C(O)C3=CC=CC=C3OC2=O)C1=O
InChIKey
InChIKey=LUKYBWUVDNDYKT-UHFFFAOYSA-N
Formula
C22H16N2O6
Mass
404.378
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
Diarylethers 1-benzopyrans Pyranones and derivatives Pyrimidones Benzenoids Vinylogous esters Vinylogous amides Vinylogous acids Heteroaromatic compounds Lactones Lactams Ureas Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-hydroxycoumarin - Diaryl ether - Benzopyran - 1-benzopyran - Pyranone - Pyrimidone - Pyran - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous ester - Vinylogous amide - Vinylogous acid - Lactam - Lactone - Urea - Oxacycle - Ether - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen 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