Compound Identification
SMILES
CC1=C(C=C(C=C1)C(=O)C=CC1=CC2=C(OCCO2)C=C1)[N+]([O-])=O
InChIKey
InChIKey=KUISOKUFQAMXNS-UHFFFAOYSA-N
Formula
C18H15NO5
Mass
325.32
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Linear 1,3-diarylpropanoids
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Subclass
Chalcones and dihydrochalcones
- Level 5 Retrochalcones
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Subclass
Chalcones and dihydrochalcones
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Class
Linear 1,3-diarylpropanoids
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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 Nitrotoluenes Aryl ketones Styrenes Benzoyl derivatives Nitroaromatic compounds Alkyl aryl ethers Para dioxins Acryloyl compounds Enones Organic oxoazanium compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Aldehydes Organic salts Organic zwitterions Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Benzo-1,4-dioxane - Benzodioxane - Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Benzoyl - Styrene - Aryl ketone - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Para-dioxin - Benzenoid - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Organic nitro compound - C-nitro compound - Ketone - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Oxacycle - Ether - Organic oxoazanium - Organic nitrogen compound - Organonitrogen compound - Aldehyde - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic zwitterion - Organic salt - 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