Compound Identification
SMILES
OC(O)=O.CC1=C(NOC(=O)[C@@H](N)CCCN)C(=O)OC2=CC=CC=C12
InChIKey
InChIKey=PZYXFBYYZIVKSW-MERQFXBCSA-N
Formula
C16H21N3O7
Mass
367.358
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 and derivatives 1-benzopyrans Pyranones and derivatives Benzenoids Heteroaromatic compounds Organic carbonic acids Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Coumarin - Alpha-amino acid or derivatives - Benzopyran - 1-benzopyran - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Amino acid or derivatives - Lactone - Carbonic acid - Carbonic acid derivative - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic oxygen compound - Primary aliphatic amine - Amine - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Primary amine - Organonitrogen compound - 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