Compound Identification
SMILES
O=C1OC(C=C1)=NC1=CC2=C(C=C1)C1=CC=CC=C1C(=O)O2
InChIKey
InChIKey=NJOHHTHNZTWFIE-UHFFFAOYSA-N
Formula
C17H9NO4
Mass
291.262
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
Isocoumarins and derivatives 2-benzopyrans 1-benzopyrans Pyranones and derivatives Butenolides Benzenoids Heteroaromatic compounds Lactones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Isocoumarin - Benzopyran - 1-benzopyran - 2-benzopyran - Pyranone - 2-furanone - Pyran - Benzenoid - Dihydrofuran - Heteroaromatic compound - Lactone - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - 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