Compound Identification
SMILES
C\C(=C/COC1=C(C2=C(C=C1)C(C)=CC(=O)O2)[N+]([O-])=O)C1=CC(=O)C(C)(C)O1
InChIKey
InChIKey=GTKWHRBNBGPXBC-YRNVUSSQSA-N
Formula
C20H19NO7
Mass
385.372
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 Phenol ethers Nitroaromatic compounds Pyranones and derivatives Alkyl aryl ethers Furanones Vinylogous esters Heteroaromatic compounds Cyclic ketones Lactones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organonitrogen compounds Organic salts Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Pyranone - 3-furanone - Pyran - Benzenoid - Dihydrofuran - Heteroaromatic compound - Vinylogous ester - Ketone - Lactone - C-nitro compound - Cyclic ketone - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic salt - Organic cation - 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