Compound Identification
SMILES
COCC1=C(OC)C=CC(=C1)C(=O)\C=C\C1=CC(=C(O)C=C1)[N+]([O-])=O
InChIKey
InChIKey=REZDJYRXRIJCLM-ZZXKWVIFSA-N
Formula
C18H17NO6
Mass
343.335
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
Cinnamylphenols Hydroxycinnamic acids and derivatives Nitrophenols Benzylethers Nitrobenzenes Anisoles Aryl ketones Benzoyl derivatives Styrenes Phenoxy compounds Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Acryloyl compounds Enones Dialkyl ethers Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organonitrogen compounds Organic zwitterions Organic oxides Organic salts
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Retrochalcone - Cinnamylphenol - Hydroxycinnamic acid or derivatives - Cinnamic acid or derivatives - Nitrophenol - Nitrobenzene - Benzylether - Styrene - Phenoxy compound - Phenol ether - Nitroaromatic compound - Aryl ketone - Benzoyl - Methoxybenzene - Anisole - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - C-nitro compound - Ketone - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Ether - Dialkyl ether - Organic zwitterion - Organic nitrogen compound - Organic salt - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic 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