Compound Identification
SMILES
CC1=CC(=O)OC2=C1C=CC(OCC(=O)NC[C@@H]1CCCO1)=C2C
InChIKey
InChIKey=MGFZQUILXPKCPL-ZDUSSCGKSA-N
Formula
C18H21NO5
Mass
331.368
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 Phenol ethers Pyranones and derivatives Alkyl aryl ethers Oxolanes Heteroaromatic compounds Secondary carboxylic acid amides Lactones Oxacyclic compounds Dialkyl ethers Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Phenol ether - Pyranone - Alkyl aryl ether - Benzenoid - Pyran - Heteroaromatic compound - Oxolane - Carboxamide group - Lactone - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - 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