Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C(=O)\C=C\C1=CC(O)=C(O)C(Cl)=C1
InChIKey
InChIKey=JCYBJJIFKQLHSS-HWKANZROSA-N
Formula
C17H15ClO5
Mass
334.75
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 Dimethoxybenzenes 3-chlorocatechols Styrenes Anisoles Aryl ketones Benzoyl derivatives Phenoxy compounds M-chlorophenols O-chlorophenols Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Aryl chlorides Acryloyl compounds Enones Organochlorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Retrochalcone - Cinnamylphenol - Cinnamic acid or derivatives - Hydroxycinnamic acid or derivatives - Dimethoxybenzene - O-dimethoxybenzene - 3-chlorocatechol - Chlorocatechol - Phenoxy compound - Anisole - Benzoyl - Catechol - 3-halophenol - 2-halophenol - 3-chlorophenol - 2-chlorophenol - Phenol ether - Styrene - Aryl ketone - Methoxybenzene - 1-hydroxy-4-unsubstituted benzenoid - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Benzenoid - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Ether - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organochloride - 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