Compound Identification
SMILES
CC1=CC=C(C=C1)N1C[C@H](CC1=O)C(=O)OCC1=CC(=O)OC2=C1C=CC(O)=C2
InChIKey
InChIKey=KFBFWRSZITTYTN-AWEZNQCLSA-N
Formula
C22H19NO6
Mass
393.395
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
-
Subclass
Hydroxycoumarins
- Level 5 7-hydroxycoumarins
-
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
7-hydroxycoumarins
Alternative Parents
Phenylpyrrolidines 1-benzopyrans Pyrrolidine carboxylic acids Oxoprolines Toluenes 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives Pyrrolidine-2-ones Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Lactones Lactams Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
7-hydroxycoumarin - 1-phenylpyrrolidine - Benzopyran - 1-benzopyran - Oxoproline - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Toluene - Monocyclic benzene moiety - Pyran - Benzenoid - 2-pyrrolidone - Pyrrolidone - Heteroaromatic compound - Pyrrole - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Carboxylic acid ester - Lactone - Lactam - Azacycle - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxygen 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