Compound Identification
SMILES
CCOC(=O)C(CC)OC1=CC2=C(C=C1)C1=C(CCC1)C(=O)O2
InChIKey
InChIKey=GKTZDMAVEZDRGZ-UHFFFAOYSA-N
Formula
C18H20O5
Mass
316.353
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
Phenoxyacetic acid derivatives 1-benzopyrans Pyranones and derivatives Fatty acid esters Alkyl aryl ethers Heteroaromatic compounds Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Phenoxyacetate - Benzopyran - 1-benzopyran - Alkyl aryl ether - Fatty acid ester - Pyranone - Fatty acyl - Benzenoid - Pyran - Heteroaromatic compound - Carboxylic acid ester - Lactone - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Ether - Oxacycle - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen 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