Compound Identification
SMILES
CC1=CC(C)(C)NC2=C1C1=C(C=C2)C2=C(C=C)C=CC=C2OC1=O
InChIKey
InChIKey=KCTTUISICINDSM-UHFFFAOYSA-N
Formula
C21H19NO2
Mass
317.388
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
Isocoumarins and derivatives Hydroquinolones Hydroquinolines 2-benzopyrans 1-benzopyrans Styrenes Secondary alkylarylamines Pyranones and derivatives Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Dihydroquinolone - Isocoumarin - Benzopyran - Dihydroquinoline - 2-benzopyran - 1-benzopyran - Styrene - Pyranone - Secondary aliphatic/aromatic amine - Benzenoid - Pyran - Heteroaromatic compound - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary amine - Amine - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - 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