Compound Identification
SMILES
CC1=CC2=C(C=C1)C(COC(=O)C1=CC(=CC=C1)N1C(=O)C3=CC=CC=C3C1=O)=CC(=O)O2
InChIKey
InChIKey=LVLFKXFIIJJCAA-UHFFFAOYSA-N
Formula
C26H17NO6
Mass
439.423
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
Phthalimides 1-benzopyrans Benzoic acid esters Isoindoles Benzoyl derivatives Pyranones and derivatives N-substituted carboxylic acid imides Heteroaromatic compounds Carboxylic acid esters Lactones Oxacyclic compounds Azacyclic compounds Organic oxides Organonitrogen compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Phthalimide - Isoindolone - 1-benzopyran - Benzopyran - Benzoate ester - Isoindole or derivatives - Isoindoline - Isoindole - Benzoic acid or derivatives - Benzoyl - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Heteroaromatic compound - Carboxylic acid ester - Lactone - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Oxacycle - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organic nitrogen 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