Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=CC(=O)C2=CC3=C(OCCO3)C=C2)C=C1
InChIKey
InChIKey=GEHQMPQGQKXQSW-UHFFFAOYSA-N
Formula
C17H13NO5
Mass
311.293
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Linear 1,3-diarylpropanoids
-
Subclass
Chalcones and dihydrochalcones
- Level 5 Retrochalcones
-
Subclass
Chalcones and dihydrochalcones
-
Class
Linear 1,3-diarylpropanoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Linear 1,3-diarylpropanoids
Subclass
Chalcones and dihydrochalcones
Intermediate Tree Nodes
Not available
Direct Parent
Retrochalcones
Alternative Parents
Cinnamic acids and derivatives Benzo-1,4-dioxanes Nitrobenzenes Styrenes Aryl ketones Nitroaromatic compounds Alkyl aryl ethers Para dioxins Acryloyl compounds Enones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Benzodioxane - Benzo-1,4-dioxane - Nitrobenzene - Nitroaromatic compound - Aryl ketone - Styrene - Alkyl aryl ether - Benzenoid - Para-dioxin - Monocyclic benzene moiety - Enone - Alpha,beta-unsaturated ketone - Acryloyl-group - Organic nitro compound - Ketone - C-nitro compound - Oxacycle - Organoheterocyclic compound - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic salt - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
External Descriptors
Not available