Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)C(=C\C1=CC=CC=C1F)\C#N
InChIKey
InChIKey=BUMROAVBBWRIIY-GXDHUFHOSA-N
Formula
C17H12FNO2
Mass
281.286
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
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
-
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 Phenoxy compounds Anisoles Methoxybenzenes Aryl ketones Benzoyl derivatives Alkyl aryl ethers Fluorobenzenes Alpha-branched alpha,beta-unsaturated ketones Aryl fluorides Acryloyl compounds Enones Nitriles Organic oxides Hydrocarbon derivatives Organofluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Aryl ketone - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Acryloyl-group - Alpha,beta-unsaturated ketone - Enone - Ketone - Ether - Carbonitrile - Nitrile - Organofluoride - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organohalogen 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