Compound Identification
SMILES
CC1=CC(=O)OC2=C1C=C(CN(CC(O)=O)CC(O)=O)C=C2
InChIKey
InChIKey=IJHAVNKJMOPQCG-UHFFFAOYSA-N
Formula
C15H15NO6
Mass
305.286
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
Alpha amino acids 1-benzopyrans Pyranones and derivatives Aralkylamines Dicarboxylic acids and derivatives Benzenoids Heteroaromatic compounds Trialkylamines Lactones Amino acids Oxacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Alpha-amino acid - Alpha-amino acid or derivatives - Benzopyran - 1-benzopyran - Pyranone - Aralkylamine - Dicarboxylic acid or derivatives - Benzenoid - Pyran - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Lactone - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Organonitrogen compound - Amine - Carbonyl group - Organic oxide - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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