Compound Identification
SMILES
COC1=CC(OC)=C2C(=O)OC(CC(O)CC(C)=O)=CC2=C1
InChIKey
InChIKey=JEVUJHJOJYCWTP-UHFFFAOYSA-N
Formula
C16H18O6
Mass
306.314
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isocoumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Isocoumarins and derivatives
Alternative Parents
2-benzopyrans Anisoles Pyranones and derivatives Alkyl aryl ethers Beta-hydroxy ketones Vinylogous esters Heteroaromatic compounds Secondary alcohols Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isocoumarin - Benzopyran - 2-benzopyran - Anisole - Phenol ether - Alkyl aryl ether - Pyranone - Beta-hydroxy ketone - Benzenoid - Pyran - Heteroaromatic compound - Vinylogous ester - Lactone - Ketone - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Ether - Organooxygen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isocoumarins and derivatives. These are polycyclic compounds containing an isochromane which bears a ketone at the carbon C1.
External Descriptors
Not available