Compound Identification
SMILES
CC[C@](O)(CC1=CC2=C(OC1=O)C=C(C)C=C2)C(N)=O
InChIKey
InChIKey=ZVSJMMPJBARVQX-HNNXBMFYSA-N
Formula
C15H17NO4
Mass
275.304
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 Pyranones and derivatives Fatty amides Benzenoids Tertiary alcohols Heteroaromatic compounds Primary carboxylic acid amides Lactones Oxacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Pyranone - Fatty acyl - Benzenoid - Pyran - Fatty amide - Heteroaromatic compound - Tertiary alcohol - Carboxamide group - Primary carboxylic acid amide - Lactone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Alcohol - Organic oxide - Carbonyl group - Organic nitrogen 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