Compound Identification
SMILES
COC1=CC2=C(C=C1)C=C(C(=O)NCCN1CCCCC1)C(=O)O2
InChIKey
InChIKey=HBBKINAQUVDNBQ-UHFFFAOYSA-N
Formula
C18H22N2O4
Mass
330.384
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 Anisoles Pyranones and derivatives Alkyl aryl ethers Piperidines Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Lactones Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Phenol ether - Anisole - Alkyl aryl ether - Pyranone - Piperidine - Pyran - Benzenoid - Heteroaromatic compound - Tertiary amine - Secondary carboxylic acid amide - Lactone - Carboxamide group - Amino acid or derivatives - Tertiary aliphatic amine - Oxacycle - Carboxylic acid derivative - Azacycle - Ether - Organoheterocyclic compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen 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