Compound Identification
SMILES
C\C(NC1=CC2=C(C=C1)C(C)=CC(=O)O2)=C1/[C@H]2[C@@H](CC1=O)C2(C)C
InChIKey
InChIKey=YASKTEISDAHBCW-LLQVOFOBSA-N
Formula
C20H21NO3
Mass
323.392
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 Benzenoids Vinylogous amides Heteroaromatic compounds Lactones Cyclic ketones Secondary amines Oxacyclic compounds Enamines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Vinylogous amide - Ketone - Lactone - Cyclic ketone - Enamine - Oxacycle - Secondary amine - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Aldehyde - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Amine - 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