Compound Identification
SMILES
COCOC1=C(C(C)=O)C2=C(C=C1)C(C)=CC(=O)O2
InChIKey
InChIKey=MQGQCQBNXBVYFU-UHFFFAOYSA-N
Formula
C14H14O5
Mass
262.261
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
1-benzopyrans Acetophenones Aryl alkyl ketones Pyranones and derivatives Heteroaromatic compounds Lactones Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Acetophenone - Aryl ketone - Aryl alkyl ketone - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Ketone - Oxacycle - Acetal - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aldehyde - Organic oxygen compound - 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