Compound Identification
SMILES
CC1=CC(C)=C2OC(=O)C=C(C[NH+]3CCOCC3)C2=C1
InChIKey
InChIKey=GFEOSAICGKWBFG-UHFFFAOYSA-O
Formula
C16H20NO3
Mass
274.339
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 Aralkylamines Morpholines Benzenoids Quaternary ammonium salts Heteroaromatic compounds Trialkylamines Lactones Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Pyranone - Aralkylamine - Morpholine - Oxazinane - Pyran - Benzenoid - Heteroaromatic compound - Quaternary ammonium salt - Lactone - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Oxacycle - Ether - Dialkyl ether - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - Organic cation - 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