Compound Identification
SMILES
CC(C)NCC(O)COC1=CC2=C(C=C1)C(C)=C(CCO)C(=O)O2
InChIKey
InChIKey=ZWHQQZPSNWXEQV-UHFFFAOYSA-N
Formula
C18H25NO5
Mass
335.4
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 Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - 1,2-aminoalcohol - Secondary alcohol - Lactone - Oxacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Ether - Organic oxide - Organonitrogen compound - Organooxygen compound - Primary alcohol - Alcohol - Organic oxygen compound - Organic nitrogen compound - Amine - Organopnictogen compound - Hydrocarbon derivative - 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