Compound Identification
SMILES
CC1=CC(=O)OC2=C1C=CC(OC(=O)NC1=CC(NC(=O)OC3=CC4=C(C=C3)C(C)=CC(=O)O4)=CC=C1)=C2
InChIKey
InChIKey=OXPWYVQIADBDSY-UHFFFAOYSA-N
Formula
C28H20N2O8
Mass
512.474
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
Phenylcarbamic acid esters 1-benzopyrans Pyranones and derivatives Heteroaromatic compounds Carbamate esters Lactones Oxacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylcarbamic acid ester - Coumarin - Benzopyran - 1-benzopyran - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Carbamic acid ester - Lactone - Oxacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - 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