Compound Identification
SMILES
OC1=CC=C(C=C1)C(=O)C=CC1=CC2=C(COCO2)C(Cl)=C1
InChIKey
InChIKey=FIIDWPDHCKBEKR-UHFFFAOYSA-N
Formula
C17H13ClO4
Mass
316.74
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 Benzo-1,3-dioxanes Styrenes Benzoyl derivatives Aryl ketones 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Enones Acryloyl compounds Oxacyclic compounds Acetals Organochlorides Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Benzo-1,3-dioxane - Benzodioxane - Benzoyl - Aryl ketone - Styrene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Alpha,beta-unsaturated ketone - Enone - Ketone - Acetal - Organoheterocyclic compound - Oxacycle - Aldehyde - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - 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