Compound Identification
SMILES
Cl.CC(C)NCC(O)COC1=CC2=C(C=C1)C(C)=C(CCO)C(=O)O2
InChIKey
InChIKey=GCOKVQGZUQRIMC-UHFFFAOYSA-N
Formula
C18H26ClNO5
Mass
371.86
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 Alkyl aryl ethers Benzenoids Heteroaromatic compounds Secondary alcohols Lactones 1,2-aminoalcohols Oxacyclic compounds Dialkylamines Primary alcohols Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Alkyl aryl ether - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - 1,2-aminoalcohol - Lactone - Secondary alcohol - Secondary aliphatic amine - Ether - Oxacycle - Organoheterocyclic compound - Secondary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Alcohol - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Primary alcohol - Organic oxygen compound - Hydrochloride - 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