Compound Identification
SMILES
CCCCCCC1=C(C)C2=CC(Cl)=C(OCC3=CC=C(C)C=C3)C=C2OC1=O
InChIKey
InChIKey=DJVPLUOYDBPOOL-UHFFFAOYSA-N
Formula
C24H27ClO3
Mass
398.93
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 Phenol ethers Toluenes Pyranones and derivatives Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Lactones Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Phenol ether - Toluene - Pyranone - Alkyl aryl ether - Benzenoid - Pyran - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Lactone - Oxacycle - Organoheterocyclic compound - Ether - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - 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