Compound Identification
SMILES
CC1(C)OC2=CC(O)=C(C=C2C=C1)C(=O)CC(=O)C1=CC=C(O)C=C1
InChIKey
InChIKey=KXBWVUQZNQMUBZ-UHFFFAOYSA-N
Formula
C20H18O5
Mass
338.359
Taxonomic Classification
Taxonomy Tree
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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 Retro-dihydrochalcones
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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
Retro-dihydrochalcones
Alternative Parents
2'-Hydroxy-dihydrochalcones Alkyl-phenylketones 2,2-dimethyl-1-benzopyrans Butyrophenones Benzoyl derivatives Aryl alkyl ketones Beta-diketones Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2'-hydroxy-dihydrochalcone - Retro-dihydrochalcone - Alkyl-phenylketone - 2,2-dimethyl-1-benzopyran - Butyrophenone - 1-benzopyran - Benzopyran - Phenylketone - Aryl alkyl ketone - Aryl ketone - Benzoyl - 1,3-diketone - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - 1,3-dicarbonyl compound - Vinylogous acid - Ketone - Ether - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as retro-dihydrochalcones. These are a form of normal dihydrochalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
External Descriptors
LIPIDMAPS (LMPK12120387) : Chalcones and dihydrochalcones