Compound Identification
SMILES
CCCCC1=CC(=O)OC2=C1C=CC([O-])=C2C[NH+]1CCCC1
InChIKey
InChIKey=LSLYTNAOMGBHIT-UHFFFAOYSA-N
Formula
C18H23NO3
Mass
301.386
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 Phenoxides Aralkylamines N-alkylpyrrolidines Quaternary ammonium salts Heteroaromatic compounds Trialkylamines Lactones Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Phenoxide - Pyranone - Aralkylamine - Benzenoid - N-alkylpyrrolidine - Pyran - Heteroaromatic compound - Quaternary ammonium salt - Pyrrolidine - Lactone - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Organic oxide - Amine - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Organic oxygen compound - Organic salt - 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