Compound Identification
SMILES
CCOC(=O)C1=C(C)OC2=C1C(=O)N(CC1=CC(=O)OC3=C1C=CC(OC)=C3)C=N2
InChIKey
InChIKey=LSXQODLMUGMREI-UHFFFAOYSA-N
Formula
C21H18N2O7
Mass
410.382
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 Furo[2,3-d]pyrimidines Furoic acid esters Anisoles Furan-3-carboxylic acid esters Pyrimidones Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Carboxylic acid esters Lactones Lactams Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Furoic acid ester - Furo[2,3-d]pyrimidine - Furoic acid or derivatives - Furan-3-carboxylic acid ester - Furan-3-carboxylic acid or derivatives - Anisole - Phenol ether - Alkyl aryl ether - Pyranone - Pyrimidone - Pyran - Pyrimidine - Benzenoid - Furan - Heteroaromatic compound - Lactone - Lactam - Carboxylic acid ester - Oxacycle - Ether - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - 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