Compound Identification
SMILES
Cc1c(OCc2cccnc2)ccc2C(=CC(=O)Oc12)N1CCC(N)CC1
InChIKey
InChIKey=URMPAQXWPITJIZ-UHFFFAOYSA-N
Formula
C21H23N3O3
Mass
365.433
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 Phenol ethers Dialkylarylamines Pyranones and derivatives Aminopiperidines Alkyl aryl ethers Pyridines and derivatives Vinylogous amides Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Phenol ether - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - 4-aminopiperidine - Pyranone - Piperidine - Benzenoid - Pyran - Pyridine - Heteroaromatic compound - Vinylogous amide - Lactone - Tertiary amine - Azacycle - Oxacycle - Ether - Organoheterocyclic compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - 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