Compound Identification
SMILES
CC(=O)C1=C(OCC(O)CN2CCCCC2)C=CC2=C1OC(=O)C=C2C
InChIKey
InChIKey=YIUUFTZZWDCEFH-UHFFFAOYSA-N
Formula
C20H25NO5
Mass
359.422
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 Acetophenones Phenol ethers Aryl alkyl ketones Pyranones and derivatives Alkyl aryl ethers Piperidines Heteroaromatic compounds Lactones 1,2-aminoalcohols Secondary alcohols Trialkylamines Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - 1-benzopyran - Benzopyran - Acetophenone - Phenol ether - Aryl ketone - Aryl alkyl ketone - Pyranone - Alkyl aryl ether - Piperidine - Benzenoid - Pyran - Heteroaromatic compound - Lactone - 1,2-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Ketone - Oxacycle - Ether - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Alcohol - 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