Compound Identification
SMILES
CCC1=C(O)C(C[NH+]2CC[NH+](C)CC2)=C2OC(=O)C3=CC=CC=C3C2=C1
InChIKey
InChIKey=NLJZFUFPTJYGMC-UHFFFAOYSA-P
Formula
C21H26N2O3
Mass
354.449
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 1-benzopyrans 2-benzopyrans Pyranones and derivatives Phenols Aralkylamines N-methylpiperazines Quaternary ammonium salts Heteroaromatic compounds Lactones Trialkylamines Azacyclic compounds Oxacyclic compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Isocoumarin - Benzopyran - 1-benzopyran - 2-benzopyran - N-methylpiperazine - N-alkylpiperazine - Phenol - Aralkylamine - Pyranone - Pyran - 1,4-diazinane - Piperazine - Benzenoid - Quaternary ammonium salt - Heteroaromatic compound - Lactone - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - 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