Compound Identification
SMILES
CCCCC1=CC(=O)OC2=CC(OCC(=O)C34CC5CC(CC(C5)C3)C4)=C(Cl)C=C12
InChIKey
InChIKey=WWOZXFSEGKBXFA-UHFFFAOYSA-N
Formula
C25H29ClO4
Mass
428.95
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 Aryl chlorides Heteroaromatic compounds Lactones Ketones Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - 1-benzopyran - Benzopyran - Alkyl aryl ether - Pyranone - Aryl chloride - Aryl halide - Benzenoid - Pyran - Heteroaromatic compound - Lactone - Ketone - Oxacycle - Organoheterocyclic compound - Ether - Aldehyde - Organohalogen compound - Organochloride - Carbonyl group - 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