Compound Identification
SMILES
COC1=C(OCCCCCCCCC(O)=O)C2=C(C=C1)C(NC1=C(Cl)C=NC=C1Cl)=CC(=O)O2
InChIKey
InChIKey=GXUGEYBHRHLJCB-UHFFFAOYSA-N
Formula
C24H26Cl2N2O6
Mass
509.38
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 Polyhalopyridines Anisoles Medium-chain fatty acids Pyranones and derivatives Alkyl aryl ethers Aminopyridines and derivatives Heterocyclic fatty acids Halogenated fatty acids Primary aromatic amines Aryl chlorides Vinylogous amides Heteroaromatic compounds Amino acids Lactones Secondary amines Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Carbonyl compounds Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Anisole - Phenol ether - Polyhalopyridine - Medium-chain fatty acid - Alkyl aryl ether - Aminopyridine - Halogenated fatty acid - Heterocyclic fatty acid - Pyranone - Aryl chloride - Aryl halide - Primary aromatic amine - Fatty acyl - Pyran - Pyridine - Fatty acid - Benzenoid - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Lactone - Azacycle - Organoheterocyclic compound - Secondary amine - Monocarboxylic acid or derivatives - Oxacycle - Ether - Carboxylic acid derivative - Carboxylic acid - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organohalogen compound - Organic oxygen compound - Organic oxide - Organochloride - Organic nitrogen compound - Organonitrogen compound - Amine - 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