Compound Identification
SMILES
CC(=O)C1=C(OC(=O)C2=CC=CC=C2)C2=C(OC(=O)C=C2C)C=C1
InChIKey
InChIKey=ZTJRIGHUCYBBNX-UHFFFAOYSA-N
Formula
C19H14O5
Mass
322.316
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarins and derivatives
Alternative Parents
Phenol esters Benzoic acid esters 1-benzopyrans Acetophenones Benzoyl derivatives Aryl alkyl ketones Pyranones and derivatives Heteroaromatic compounds Lactones Carboxylic acid esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzoate ester - Benzopyran - Phenol ester - 1-benzopyran - Acetophenone - Benzoic acid or derivatives - Benzoyl - Aryl alkyl ketone - Aryl ketone - Pyranone - Pyran - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Lactone - Ketone - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
External Descriptors
Not available