Compound Identification
SMILES
CN1CC[NH+](CC2=C([O-])C=CC3=C2OC(=O)C(C)=C3C)CC1
InChIKey
InChIKey=TXUYOJWVBZUXFX-UHFFFAOYSA-N
Formula
C17H22N2O3
Mass
302.374
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-methylpiperazines 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 - N-methylpiperazine - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Benzenoid - Piperazine - Pyran - Heteroaromatic compound - Quaternary ammonium salt - Lactone - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Organic oxide - Organic zwitterion - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - 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