Compound Identification
SMILES
COC1=C(OC)C(OC)=C(\C=C\C(=O)C2=CC(=C(Cl)C=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=PLMJGEZUALJZBW-VMPITWQZSA-N
Formula
C18H16ClNO6
Mass
377.78
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 Nitrobenzenes Anisoles Aryl ketones Benzoyl derivatives Styrenes Methoxybenzenes Nitroaromatic compounds Phenoxy compounds Alkyl aryl ethers Chlorobenzenes Aryl chlorides Acryloyl compounds Enones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Nitrobenzene - Styrene - Phenol ether - Phenoxy compound - Nitroaromatic compound - Aryl ketone - Benzoyl - Methoxybenzene - Anisole - Chlorobenzene - Halobenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Acryloyl-group - Alpha,beta-unsaturated ketone - Enone - Organic nitro compound - Ketone - C-nitro compound - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic zwitterion - Organic nitrogen compound - Organic salt - Organochloride - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organic oxide - 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