Compound Identification
SMILES
COC(=O)C1=C(C)OC(COC2=C(Cl)C=C3C(C)=CC(=O)OC3=C2)=C1
InChIKey
InChIKey=RPTZUUCIJLIJFC-UHFFFAOYSA-N
Formula
C18H15ClO6
Mass
362.76
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 Furoic acid esters Phenol ethers Furan-3-carboxylic acid esters Pyranones and derivatives Alkyl aryl ethers Aryl chlorides Methyl esters Heteroaromatic compounds Lactones Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Furoic acid ester - Furoic acid or derivatives - Furan-3-carboxylic acid ester - Furan-3-carboxylic acid or derivatives - Phenol ether - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Aryl chloride - Aryl halide - Methyl ester - Heteroaromatic compound - Furan - Carboxylic acid ester - Lactone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organochloride - Organohalogen 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