Compound Identification
SMILES
OC1=C(O)C(Cl)=CC(\C=C\C(=O)C2=CC3=C(OCC(=O)N3)C=C2)=C1
InChIKey
InChIKey=YKRMTOLRDSKSHE-HNQUOIGGSA-N
Formula
C17H12ClNO5
Mass
345.74
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
Hydroxycinnamic acids and derivatives Benzoxazinones Benzomorpholines 3-chlorocatechols Styrenes Aryl ketones O-chlorophenols M-chlorophenols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Chlorobenzenes Aryl chlorides Acryloyl compounds Enones Lactams Secondary carboxylic acid amides Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Retrochalcone - Hydroxycinnamic acid or derivatives - Cinnamic acid or derivatives - Benzoxazinone - Benzoxazine - Benzomorpholine - 3-chlorocatechol - Chlorocatechol - 3-halophenol - 2-halophenol - 3-chlorophenol - 2-chlorophenol - Catechol - Styrene - Aryl ketone - Phenol - Alkyl aryl ether - Chlorobenzene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Oxazinane - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Enone - Acryloyl-group - Alpha,beta-unsaturated ketone - Secondary carboxylic acid amide - Carboxamide group - Lactam - Ketone - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Oxacycle - Ether - Organochloride - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organic oxide - 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