Compound Identification
SMILES
OCCCC#CC1=CC(=O)OC2=CC=CC=C12
InChIKey
InChIKey=ORMHAGHGYUPEEM-UHFFFAOYSA-N
Formula
C14H12O3
Mass
228.247
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 Fatty alcohols Pyranones and derivatives Benzenoids Heteroaromatic compounds Lactones Oxacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Fatty alcohol - Pyranone - Pyran - Benzenoid - Fatty acyl - Heteroaromatic compound - Lactone - Oxacycle - Organoheterocyclic compound - Alcohol - Primary alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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