Compound Identification
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C1=CC3=CC=CC=C3O1)C(=O)O2
InChIKey
InChIKey=YZZKOCVHPSBQAY-UHFFFAOYSA-N
Formula
C21H19NO3
Mass
333.387
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 Benzofurans Dialkylarylamines Pyranones and derivatives Benzenoids Heteroaromatic compounds Furans Lactones Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Benzofuran - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Furan - Tertiary amine - Lactone - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Amine - Organic oxide - Organic oxygen compound - 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